Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.52 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.52 |
| ▸ | POLB | P06746 | 1/20 | 0.52 |
| ▸ | LOXL2 | Q9Y4K0 | 4/20 | 0.50 |
| ▸ | NOS3 | P29474 | 2/20 | 0.48 |
| ▸ | NOS1 | P29475 | 2/20 | 0.48 |
| ▸ | NOS2 | P35228 | 2/20 | 0.48 |
| ▸ | ABAT | P80404 | 1/20 | 0.48 |
| ▸ | TPSAB1 | Q15661 | 3/20 | 0.47 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.47 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.47 |
| ▸ | NCOR2 | Q9Y618 | 1/20 | 0.47 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.46 |
| ▸ | PSIP1 | O75475 | 1/20 | 0.43 |
| ▸ | CA2 | P00918 | 2/20 | 0.41 |
| ▸ | F10 | P00742 | 1/20 | 0.41 |
| ▸ | F11 | P03951 | 1/20 | 0.41 |
| ▸ | CA12 | O43570 | 1/20 | 0.41 |
| ▸ | CA1 | P00915 | 1/20 | 0.41 |
| ▸ | CA4 | P22748 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL8403545 | 0.87 | POLB (0.61) | POLBCA2 | |
| SCHEMBL8105331 | 0.83 | NOS1 (0.53) | KDM4ESMN1; SMN2LOXL2NOS3NOS1 | |
| SCHEMBL27499987 | 0.82 | TAAR1 (0.52) | KDM4ESMN1; SMN2POLBLOXL2NOS3 | |
| SCHEMBL2398866 | 0.81 | POLB (0.52) | SMN1; SMN2POLBLOXL2CA2 | |
| SCHEMBL12081708 | 0.81 | SMN1; SMN2 (0.38) | KDM4ESMN1; SMN2POLBLOXL2NOS3 | |
| SCHEMBL6845495 | 0.80 | ABAT (0.52) | KDM4ESMN1; SMN2LOXL2NOS3NOS1 | |
| SCHEMBL10775630 | 0.80 | POLB (0.55) | KDM4EPOLBCA2 | |
| SCHEMBL4242578 | 0.78 | CA2 (0.67) | LOXL2ABATTPSAB1HDAC3HDAC6 | |
| SCHEMBL9149413 | 0.78 | POLB (0.53) | POLBNOS3NOS1CA2CA12 | |
| SCHEMBL8277240 | 0.78 | CA2 (0.62) | KDM4EPOLBCA2 |
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 17 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3177612-B1 | OPTIONALLY FUSED HETEROCYCLYL-SUBSTITUTED DERIVATIVES OF PYRIMIDINE USEFUL FOR THE TREATMENT OF INFLAMMATORY, METABOLIC, ONCOLOGIC AND AUTOIMMUNE DISEASES | NUEVOLUTION AS (DK) | 2022-02-23 | — | — | EP | disclosed |
| CN-109970528-A | The preparation method and application of 1,3- bis- (2,4- alkyl phenyl) acetone | 大连大学 | 2019-07-05 | — | — | CN | disclosed |
| CN-109970524-A | The preparation method and application of 1,3- bis- (3,4- alkyl phenyl) acetone | 大连大学 | 2019-07-05 | — | — | CN | disclosed |
| CN-107980011-A | The method of homogeneous catalysis reduction amination carbonyls | 巴斯夫欧洲公司 | 2018-05-01 | — | — | CN | disclosed |
| US-20160361378-A1 | MULTIVALENT/MULTIFUNCTIONAL LIGANDS WITH AGONIST ACTIVITIES AT OPIOID RECEPTORS AND ANTAGONIST ACTIVITIES AT NK1 RECEPTOR FOR RELIEF OF PAIN | THE ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA (US) | 2016-12-15 | — | — | US | disclosed |
| US-20160030591-A1 | BIOLOGICALLY ACTIVE MOLECULES, CONJUGATES THEREOF, AND THERAPEUTIC USES | REGENERON PHARMACEUTICALS, INC. | 2016-02-04 | — | — | US | disclosed |
| US-20150367281-A1 | ABSORBENT SOLUTION FOR ABSORPTION OF ACID GAS AND PROCESS FOR ABSORPTION OF ACID GAS | COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) | 2015-12-24 | — | — | US | disclosed |
| WO-2015143340-A1 | COMPOUNDS AND THEIR METHODS OF USE | AGIOS PHARMACEUTICALS, INC. (US) | 2015-09-24 | — | — | WO | disclosed |
| CN-101754958-A | Prepare highly purified 2,4 '-method of dimethyl-3-piperidines-Propiophenone (tolperisone), the active substance formulations that comprises its pharmaceutical composition and comprise tolperisone | SANOCHEMIA PHARMAZEUTIKA AG | 2010-06-23 | — | — | CN | disclosed |
| CN-101679329-A | Tolperisone compositions | AVIGEN INC | 2010-03-24 | — | — | CN | disclosed |
| CN-1310915-C | Pyrido(2,1-a)isoquinoline derivatives as DPP-IV inhibitors | HOFFMANN LA ROCHE (CH) | 2007-04-18 | — | — | CN | disclosed |
| CN-1243747-C | Heteroaromatic carboxamide derivatives and their use as inhibitors of the enzyme IKK-2 | ASTRAZENECA AB (SE) | 2006-03-01 | — | — | CN | disclosed |
| CN-1639162-A | Pyrido(2,1-a)isoquinoline derivatives as DPP-IV inhibitors | HOFFMANN LA ROCHE (CH) | 2005-07-13 | — | — | CN | disclosed |
| CN-1620451-A | Diphenylmethyl derivative | FUJISAWA PHARMACEUTICAL CO (JP) | 2005-05-25 | — | — | CN | disclosed |
| CN-1184423-A | Nodulisporic acid derivatives | MERCK & CO INC (US) | 1998-06-10 | — | — | CN | disclosed |
| EP-0061907-B1 | SECONDARY AMINES, THEIR PREPARATION, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR USE | BEECHAM GROUP PLC (GB) | 1984-08-01 | — | — | EP | disclosed |
| EP-0061907-A1 | Secondary amines, their preparation, pharmaceutical compositions containing them and their use | BEECHAM GROUP PLC (GB) | 1982-10-06 | — | — | EP | 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 (2 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-20160361378-A1 | MULTIVALENT/MULTIFUNCTIONAL LIGANDS WITH AGONIST ACTIVITIES AT OPIOID RECEPTORS AND ANTAGONIST ACTIVITIES AT NK1 RECEPTOR FOR RELIEF OF PAIN | OPRK1, OPRL1, OPRM1 | KDM4E 3227/4885SMN1; SMN2 2054/4885POLB 4267/4885 |
| US-20160030591-A1 | BIOLOGICALLY ACTIVE MOLECULES, CONJUGATES THEREOF, AND THERAPEUTIC USES | CD47, CD44, ACP1 | KDM4E 3780/4885SMN1; SMN2 2211/4885POLB 1535/4885 |
“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.