Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 1/20 | 0.56 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.55 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.55 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.55 |
| ▸ | MPO | P05164 | 1/20 | 0.55 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.55 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.55 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.55 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.55 |
| ▸ | TP53 | P04637 | 1/20 | 0.55 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.54 |
| ▸ | NAAA | Q02083 | 1/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.53 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.50 |
| ▸ | RAB9A | P51151 | 2/20 | 0.50 |
| ▸ | TSHR | P16473 | 1/20 | 0.49 |
| ▸ | GAA | P10253 | 2/20 | 0.49 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.49 |
| ▸ | POLB | P06746 | 1/20 | 0.49 |
| ▸ | HPGD | P15428 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL17865785 | 0.86 | ADORA2A (0.59) | ADORA2ATP53SMN1; SMN2ALDH1A1L3MBTL1 | |
| SCHEMBL3432039 | 0.86 | KDM4E (0.52) | CYP1A2CYP2C19KDM4EMPOCYP3A4 | |
| SCHEMBL10202750 | 0.83 | KDM4E (0.49) | CYP1A2CYP2C19KDM4EMPOCYP3A4 | |
| SCHEMBL4046112 | 0.82 | MLYCD (0.62) | CYP1A2CYP2C19KDM4EMPOCYP3A4 | |
| SCHEMBL10224288 | 0.81 | PRSS1 (0.67) | ADORA2ASMN1; SMN2NAAAALDH1A1RAB9A | |
| SCHEMBL15557449 | 0.80 | THRB (0.66) | CYP1A2CYP2C19CYP3A4SMN1; SMN2ALDH1A1 | |
| SCHEMBL10264275 | 0.80 | NAAA (0.53) | CYP1A2CYP2C19KDM4EMPOCYP3A4 | |
| SCHEMBL13508333 | 0.80 | NAAA (0.65) | CYP1A2CYP2C19KDM4ESMN1; SMN2NAAA | |
| SCHEMBL13483866 | 0.79 | RAB9A (0.60) | CYP1A2CYP2C19TP53SMN1; SMN2ALDH1A1 | |
| SCHEMBL6024562 | 0.79 | NPC1 (0.58) | ADORA2AKDM4ESMN1; SMN2ALDH1A1L3MBTL1 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20170101429-A1 | METAL ORGANIC FRAMEWORKS COMPRISING A PLURALITY OF SBUS WITH DIFFERENT METAL IONS AND/OR A PLURALITY OF ORGANIC LINKING LIGANDS WITH DIFFERENT FUNCTIONAL GROUPS | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA | 2017-04-13 | — | — | US | disclosed |
| US-8093264-B2 | Fused heterocycles as inhibitors of VEGF receptor and HGF receptor signaling | METHYLGENE INC. (CA) | 2012-01-10 | — | — | US | disclosed |
| US-20080132500-A1 | Antibiotic compounds | MERCK SHARP & DOHME CORP. | 2008-06-05 | — | — | US | disclosed |
| US-20080004273-A1 | Inhibitors of protein tyrosine kinase activity | METHYLGENE, INC. (CA) | 2008-01-03 | — | — | US | disclosed |
| US-20070293499-A1 | Intracellular Kinase Inhibitors | MANNKIND CORPORATION (US) | 2007-12-20 | — | — | US | disclosed |
| US-20070004675-A1 | Inhibitors of VEGF receptor and HGF receptor signaling | METHYLGENE, INC. | 2007-01-04 | — | — | US | 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 (5 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-20070293499-A1 | Intracellular Kinase Inhibitors | PI4KB, BTK, LTK | ADORA2A 3208/4885CYP1A2 4877/4885CYP2C19 4828/4885 |
| US-20070004675-A1 | Inhibitors of VEGF receptor and HGF receptor signaling | HGF, MET, FLT1 | ADORA2A 1290/4885CYP1A2 4222/4885CYP2C19 4590/4885 |
| US-20170101429-A1 | METAL ORGANIC FRAMEWORKS COMPRISING A PLURALITY OF SBUS WITH DIFFERENT METAL IONS AND/OR A PLURALITY OF ORGANIC LINKING LIGANDS WITH DIFFERENT FUNCTIONAL GROUPS | EPCAM, SOD1, SBDS | ADORA2A 4359/4885CYP1A2 4394/4885CYP2C19 4549/4885 |
| US-20080004273-A1 | Inhibitors of protein tyrosine kinase activity | HGF, ERBB2, MET | ADORA2A 2939/4885CYP1A2 4345/4885CYP2C19 4235/4885 |
| US-20080132500-A1 | Antibiotic compounds | NRDC, MRPL21, PEPD | ADORA2A 4726/4885CYP1A2 4237/4885CYP2C19 2890/4885 |
“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.