Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOTUM | Q6P988 | 3/20 | 0.45 |
| ▸ | CYP19A1 | P11511 | 5/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.37 |
| ▸ | CYP1A1 | P04798 | 4/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.37 |
| ▸ | CYP1B1 | Q16678 | 4/20 | 0.37 |
| ▸ | TTR | P02766 | 4/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.37 |
| ▸ | MEN1 | O00255 | 2/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.37 |
| ▸ | CA12 | O43570 | 2/20 | 0.37 |
| ▸ | SLCO2B1 | O94956 | 2/20 | 0.37 |
| ▸ | CA4 | P22748 | 2/20 | 0.37 |
| ▸ | PSMB5 | P28074 | 2/20 | 0.37 |
| ▸ | CA7 | P43166 | 2/20 | 0.37 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.37 |
| ▸ | ESR1 | P03372 | 1/20 | 0.37 |
| ▸ | SHBG | P04278 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL10472367 | 0.91 | NOTUM (0.37) | NOTUMCYP19A1CYP3A4CYP1A1CYP1A2 | |
| SCHEMBL10473774 | 0.75 | CYP19A1 (0.36) | CYP19A1CYP3A4CYP1A1CYP1A2CYP1B1 | |
| SCHEMBL10466442 | 0.64 | — | — | |
| SCHEMBL10474519 | 0.61 | CYP19A1 (0.40) | CYP19A1CYP3A4CYP1A1CYP1A2CYP1B1 | |
| SCHEMBL10474520 | 0.61 | CYP19A1 (0.40) | CYP19A1CYP3A4CYP1A1CYP1A2CYP1B1 | |
| SCHEMBL10472620 | 0.61 | CYP19A1 (0.40) | CYP19A1CYP3A4CYP1A1CYP1A2CYP1B1 | |
| Rolziracetam SCHEMBL1159965 | 0.61 | NOTUM (0.47) | NOTUMCYP3A4CYP2C19KMT2ACYP2C9 | |
| SCHEMBL10473372 | 0.61 | HSP90AA1 (0.34) | ESR2 | |
| SCHEMBL2025113 | 0.60 | TTR (0.49) | CYP19A1CYP3A4CYP1A1CYP1A2CYP1B1 | |
| SCHEMBL13176970 | 0.60 | TTR (0.49) | CYP19A1CYP3A4CYP1A1CYP1A2CYP1B1 |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4920221-A | CENTRAL NERVOUS SYSTEM ACTIVE AGENTS | PFIZER INC. (US) | 1990-04-24 | — | — | US | disclosed |
| EP-0090516-B1 | SUBSTITUTED HEXAHYDROPYRROLO(1,2-A)-QUINOLINE, HEXAHYDRO-1H-PYRIDO(1,2-A)-QUINOLINE, HEXAHYDROBENZO(3)INDENE AND OCTAHYDROPHENANTHRENE CNS AGENTS | PFIZER INC. (US) | 1988-07-06 | — | — | EP | disclosed |
| EP-0090526-B1 | SUBSTITUTED DODECAHYDROTRIPHENYLENES, DECAHYDRO-1H-CYCLOPENTA(1)PHENANTHRENES, DECAHYDRO-1H-PYRIDO(1,2-F)PHENANTHRIDINES AND DECAHYDROPYRROLO(1,2-F)PHENANTHRIDINES AS CNS AGENTS | PFIZER INC. (US) | 1986-11-26 | — | — | EP | disclosed |
| US-4576964-A | ANALGESICS, ANTIEMETICS | PFIZER INC. (US) | 1986-03-18 | — | — | US | disclosed |
| US-4476131-A | ANTIEMETICS, ANALGESICS | PFIZER INC. (US) | 1984-10-09 | — | — | US | disclosed |
| US-4473704-A | ANALGESICS, ANTIEMETICS | PFIZER INC. (US) | 1984-09-25 | — | — | US | disclosed |
| EP-0090516-A1 | Substituted hexahydropyrrolo(1,2-a)-quinoline, hexahydro-1H-pyrido(1,2-a)-quinoline, hexahydrobenzo(3)indene and octahydrophenanthrene CNS agents | PFIZER INC. (US) | 1983-10-05 | — | — | EP | disclosed |
| EP-0090526-A1 | Substituted dodecahydrotriphenylenes, decahydro-1H-cyclopenta(1)phenanthrenes, decahydro-1H-pyrido(1,2-f)phenanthridines and decahydropyrrolo(1,2-f)phenanthridines as CNS agents | PFIZER INC. (US) | 1983-10-05 | — | — | EP | disclosed |