Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.58 |
| ▸ | GAA | P10253 | 1/20 | 0.58 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.53 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.51 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.47 |
| ▸ | ADRA2B | P18089 | 2/20 | 0.47 |
| ▸ | ADRA2C | P18825 | 2/20 | 0.47 |
| ▸ | SLC2A1 | P11166 | 1/20 | 0.47 |
| ▸ | P4HTM | Q9NXG6 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 6/20 | 0.44 |
| ▸ | LMNA | P02545 | 5/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.44 |
| ▸ | RAB9A | P51151 | 3/20 | 0.44 |
| ▸ | NPC1 | O15118 | 3/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.44 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.44 |
| ▸ | CXCR5 | P32302 | 1/20 | 0.44 |
| ▸ | APLNR | P35414 | 1/20 | 0.44 |
| ▸ | CCR6 | P51684 | 1/20 | 0.44 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL14815551 | 0.86 | MAPT (0.54) | CYP1A2GAAMAPK1P4HTMMAPT | |
| SCHEMBL29739490 | 0.84 | CYP1A2 (0.53) | CYP1A2GAAMAPK1CYP2C19ADRA2A | |
| SCHEMBL18827493 | 0.84 | CYP1A2 (0.53) | CYP1A2GAAMAPK1CYP2C19ADRA2A | |
| SCHEMBL9098551 | 0.83 | P4HTM (0.61) | CYP1A2GAACYP2C19ADRA2AADRA2B | |
| SCHEMBL1403645 | 0.83 | P4HTM (0.61) | CYP1A2GAACYP2C19ADRA2AADRA2B | |
| SCHEMBL11723881 | 0.82 | CYP1A2 (0.59) | CYP1A2GAAMAPK1CYP2C19ADRA2A | |
| SCHEMBL41111 | 0.81 | ADRA2A (0.56) | CYP1A2GAACYP2C19ADRA2AADRA2B | |
| SCHEMBL5326143 | 0.81 | ALDH1A1 (0.53) | CYP1A2GAACYP2C19ADRA2AADRA2B | |
| Hydrochloric Acid SCHEMBL28862169 | 0.81 | P4HTM (0.60) | CYP1A2GAACYP2C19ADRA2AADRA2B | |
| SCHEMBL17633177 | 0.81 | CYP1A2 (0.54) | CYP1A2GAACYP2C19ADRA2AADRA2B |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 20 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20170191986-A1 | Compounds and Method of Identifying, Synthesizing, Optimizing and Profiling Protein Modulators | HMI Medical Innovations, LLC | 2017-07-06 | — | — | US | disclosed |
| US-9645137-B2 | Compounds and method of identifying, synthesizing, optimizing and profiling protein modulators | HMI Medical Innovations, LLC (US) | 2017-05-09 | — | — | US | disclosed |
| US-20170112848-A1 | THERAMUTEIN MODULATORS | HMI Medical Innovations, LLC | 2017-04-27 | — | — | US | disclosed |
| US-9579326-B2 | Theramutein modulators | HMI Medical Innovations, LLC (US) | 2017-02-28 | — | — | US | disclosed |
| US-9433622-B2 | Pyrimidine compounds useful in the treatment of diseases mediated by IKKE and/or TBK1 mechanisms | CASE WESTERN RESERVE UNIVERSITY (US) | 2016-09-06 | — | — | US | disclosed |
| US-9433622-B2 | Pyrimidine compounds useful in the treatment of diseases mediated by IKKE and/or TBK1 mechanisms | CASE WESTERN RESERVE UNIVERSITY (US) | 2016-09-06 | — | — | US | disclosed |
| EP-2958910-B1 | PYRIMIDINE COMPOUNDS USEFUL IN THE TREATMENT OF DISEASES MEDIATED BY IKKE AND/OR TBK1 MECHANISMS | DOMAINEX LTD (GB) | 2016-08-03 | — | — | EP | disclosed |
| US-9365588-B2 | Benzoxazines as modulators of ion channels | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2016-06-14 | — | — | US | disclosed |
| US-20160000784-A1 | PYRIMIDINE COMPOUNDS USEFUL IN THE TREATMENT OF DISEASES MEDIATED BY IKKE AND/OR TBK1 MECHANISMS | DOMAINEX LIMITED (GB) | 2016-01-07 | — | — | US | disclosed |
| US-20160000784-A1 | PYRIMIDINE COMPOUNDS USEFUL IN THE TREATMENT OF DISEASES MEDIATED BY IKKE AND/OR TBK1 MECHANISMS | DOMAINEX LIMITED (GB) | 2016-01-07 | — | — | US | disclosed |
| US-20150376120-A1 | ALBICIDIN DERIVATIVES, THEIR USE AND SYNTHESIS | Technische Universität Berlin (DE) | 2015-12-31 | — | — | US | disclosed |
| US-20140309220-A1 | BENZOXAZINES AS MODULATORS OF ION CHANNELS | VERTEX PHARMACEUTICALS INCORPORATED | 2014-10-16 | — | — | US | disclosed |
| WO-2014128486-A1 | PYRIMIDINE COMPOUNDS USEFUL IN THE TREATMENT OF DISEASES MEDIATED BY IKKE AND/OR TBK1 MECHANISMS | DOMAINEX LIMITED (GB) | 2014-08-28 | — | — | WO | disclosed |
| US-20120245136-A1 | CHROMAN-SPIROCYCLIC PIPERIDINE AMIDES AS MODULATORS OF ION CHANNELS | VERTEX PHARMACEUTICALS INCORPORATED | 2012-09-27 | — | — | US | disclosed |
| EP-1183254-B1 | SUBSTITUTED BICYCLIC HETEROARYL COMPOUNDS AS INTEGRIN ANTAGONISTS | AVENTIS PHARMA LTD (GB) | 2005-01-12 | — | — | EP | disclosed |
| US-6706738-B2 | ANTIARTHRITIC AGENTS; ANTIINFLAMMATORY AGENTS | AVENTIS PHARMA LIMITED (GB) | 2004-03-16 | — | — | US | disclosed |
| US-20020173506-A1 | Substituted bicyclic heteroaryl compounds and their use as integrin antagonists | AVENTIS PHARMA LIMITED (GB) | 2002-11-21 | — | — | US | disclosed |
| CN-1350534-A | Substituted bicyclic heteroaryl compounds as integrin antagonists | AVENTIS PHARMA LTD (GB) | 2002-05-22 | — | — | CN | disclosed |
| EP-1183254-A1 | SUBSTITUTED BICYCLIC HETEROARYL COMPOUNDS AS INTEGRIN ANTAGONISTS | Aventis Pharma Limited (GB) | 2002-03-06 | — | — | EP | disclosed |
| WO-2000061580-A1 | SUBSTITUTED BICYCLIC HETEROARYL COMPOUNDS AS INTEGRIN ANTAGONISTS | AVENTIS PHARMA LIMITED (GB) | 2000-10-19 | — | — | WO | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (6 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20020173506-A1 | Substituted bicyclic heteroaryl compounds and their use as integrin antagonists | VCAM1, ITGA4, ITGA1 | CYP1A2 746/4885GAA 4378/4885MAPK1 1672/4885 |
| US-20160000784-A1 | PYRIMIDINE COMPOUNDS USEFUL IN THE TREATMENT OF DISEASES MEDIATED BY IKKE AND/OR TBK1 MECHANISMS | TBK1, TBKBP1, TYMS | CYP1A2 4093/4885GAA 1123/4885MAPK1 658/4885 |
| US-20150376120-A1 | ALBICIDIN DERIVATIVES, THEIR USE AND SYNTHESIS | MB, ALB, BCAT2 | CYP1A2 1530/4885GAA 1097/4885MAPK1 1892/4885 |
| US-20120245136-A1 | CHROMAN-SPIROCYCLIC PIPERIDINE AMIDES AS MODULATORS OF ION CHANNELS | KCNJ2, KCNJ1, KCNC1 | CYP1A2 2531/4885GAA 2794/4885MAPK1 2021/4885 |
| US-20170112848-A1 | THERAMUTEIN MODULATORS | TSG101, SERPINE1, PLAUR | CYP1A2 4586/4885GAA 3394/4885MAPK1 2381/4885 |
| US-20140309220-A1 | BENZOXAZINES AS MODULATORS OF ION CHANNELS | KCNJ1, KCNJ2, KCNJ11 | CYP1A2 1118/4885GAA 1082/4885MAPK1 3704/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.