Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2C | P28335 | 2/20 | 0.39 |
| ▸ | HTR2A | P28223 | 1/20 | 0.39 |
| ▸ | ADRB1 | P08588 | 6/20 | 0.38 |
| ▸ | HTR3E | A5X5Y0 | 2/20 | 0.38 |
| ▸ | HTR3B | O95264 | 2/20 | 0.38 |
| ▸ | HTR3A | P46098 | 2/20 | 0.38 |
| ▸ | HTR3D | Q70Z44 | 2/20 | 0.38 |
| ▸ | HTR3C | Q8WXA8 | 2/20 | 0.38 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.38 |
| ▸ | HRH1 | P35367 | 1/20 | 0.38 |
| ▸ | USP2 | O75604 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | CASP1 | P29466 | 1/20 | 0.36 |
| ▸ | CASP4 | P49662 | 1/20 | 0.36 |
| ▸ | CASP5 | P51878 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | ADRB2 | P07550 | 2/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL10437043 | 0.91 | SMN1; SMN2 (0.43) | HTR2CHTR2AADRB1HTR3EHTR3B | |
| SCHEMBL15526123 | 0.89 | USP2 (0.40) | HTR2CHTR2AADRB1HTR3EHTR3B | |
| SCHEMBL860227 | 0.86 | HRH1 (0.41) | HTR2CHTR2AADRB1HTR3EHTR3B | |
| SCHEMBL15310285 | 0.85 | TDP1 (0.36) | HTR2CHRH1USP2SMN1; SMN2TDP1 | |
| SCHEMBL5718185 | 0.84 | — | — | |
| SCHEMBL11815703 | 0.84 | MAPT (0.43) | ALDH1A1KDM4E | |
| SCHEMBL497034 | 0.82 | MAPT (0.37) | USP2TDP1ALDH1A1KDM4E | |
| SCHEMBL29780367 | 0.82 | MAPT (0.37) | ALDH1A1 | |
| SCHEMBL23661069 | 0.80 | ALDH1A1 (0.35) | USP2TDP1ALDH1A1KDM4E | |
| SCHEMBL497507 | 0.80 | ALDH1A1 (0.35) | USP2TDP1ALDH1A1KDM4E |
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 |
|---|---|---|---|---|---|---|---|
| CN-111315735-B | Dihydrobenzimidazolone | C4医药公司 | 2024-03-08 | — | — | CN | disclosed |
| US-9682080-B2 | Pyruvate kinase activators for use in therapy | AGIOS PHARMACEUTICALS, INC (US) | 2017-06-20 | — | — | US | disclosed |
| EP-2164328-B1 | THERAPEUTIC PYRAZOLOQUINOLINE UREA DERIVATIVES | DART NEUROSCIENCE CAYMAN LTD (KY) | 2013-08-07 | — | — | EP | disclosed |
| EP-1146871-A4 | ANTIDEPRESSANT HETEROCYCLIC COMPOUNDS | BRISTOL MYERS SQUIBB CO (US) | 2002-04-17 | — | — | EP | disclosed |
| CN-1342074-A | Antidepressant heterocyclic compounds | BRISTOL MYERS SQUIBB CO (US) | 2002-03-27 | — | — | CN | disclosed |
| EP-1146871-A1 | ANTIDEPRESSANT HETEROCYCLIC COMPOUNDS | Bristol-Myers Squibb Company (US) | 2001-10-24 | — | — | EP | disclosed |
| US-6225324-B1 | POTENT INHIBITION OF 5-HT REUPTAKE; 1,3-DISUBSTITUTED PYRROLIDINE, 1,4-DISUBSTITUTED PIPERIDINE, OR 1,4-DISUBSTITUTED HEXAHYDROAZEPINE DERIVATIVES | BRISTOL-MYERS SQUIBB COMPANY | 2001-05-01 | — | — | US | disclosed |
| US-6153611-A | AS NON-DOPAMINERGIC ANTIISCHEMIC COMPOUNDS FOR TREATING BRAIN DISORDERS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2000-11-28 | — | — | US | disclosed |
| WO-2000044376-A1 | ANTIDEPRESSANT HETEROCYCLIC COMPOUNDS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2000-08-03 | — | — | WO | disclosed |
| US-5595993-A | Antischemic piperazinyl- and piperidinyl-cyclohexanes | BRISTOL-MYERS SQUIBB COMPANY (US) | 1997-01-21 | — | — | US | disclosed |
| EP-0546583-B1 | Piperazinyl-and piperidinyl-cyclohexanols | BRISTOL MYERS SQUIBB CO (US) | 1996-05-22 | — | — | EP | disclosed |
| US-5478828-A | Anxiolytic agents | BRISTOL-MYERS SQUIBB COMPANY (US) | 1995-12-26 | — | — | US | disclosed |
| EP-0560669-B1 | Piperazinyl-and piperidinyl-cyclohexenes and cyclohexanes | BRISTOL MYERS SQUIBB CO (US) | 1995-06-14 | — | — | EP | disclosed |
| US-5387593-A | Anxiolytic agents | BRISTON-MYERS SQUIBB (US) | 1995-02-07 | — | — | US | disclosed |
| US-5352678-A | Dopaminergic agents | BRISTOL-MYERS SQUIBB CO. (US) | 1994-10-04 | — | — | US | disclosed |
| EP-0560669-A1 | Piperazinyl-and piperidinyl-cyclohexenes and cyclohexanes | Bristol-Myers Squibb Company (US) | 1993-09-15 | — | — | EP | disclosed |
| EP-0546583-A1 | Piperazinyl-and piperidinyl-cyclohexanols | Bristol-Myers Squibb Company (US) | 1993-06-16 | — | — | EP | disclosed |