Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOTUM | Q6P988 | 1/20 | 0.36 |
| ▸ | PDE4A | P27815 | 3/20 | 0.35 |
| ▸ | PDE4B | Q07343 | 3/20 | 0.35 |
| ▸ | PDE4C | Q08493 | 3/20 | 0.35 |
| ▸ | PDE4D | Q08499 | 3/20 | 0.35 |
| ▸ | S1PR1 | P21453 | 2/20 | 0.35 |
| ▸ | S1PR3 | Q99500 | 2/20 | 0.35 |
| ▸ | PTGER4 | P35408 | 1/20 | 0.34 |
| ▸ | OPRM1 | P35372 | 4/20 | 0.34 |
| ▸ | OPRD1 | P41143 | 3/20 | 0.34 |
| ▸ | OPRK1 | P41145 | 3/20 | 0.34 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.34 |
| ▸ | AR | P10275 | 1/20 | 0.34 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.34 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.34 |
| ▸ | HTR2A | P28223 | 1/20 | 0.34 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.34 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.34 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.34 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL10472684 | 0.95 | PDE4A (0.34) | PDE4APDE4BPDE4CPDE4DS1PR1 | |
| SCHEMBL10652508 | 0.89 | NOTUM (0.34) | NOTUMPDE4APDE4BPDE4CPDE4D | |
| SCHEMBL10652511 | 0.89 | NOTUM (0.34) | NOTUMPDE4APDE4BPDE4CPDE4D | |
| SCHEMBL10914659 | 0.89 | NOTUM (0.34) | NOTUMPDE4APDE4BPDE4CPDE4D | |
| SCHEMBL10474997 | 0.85 | CHRNB4 (0.36) | PDE4APDE4BPDE4CPDE4DOPRM1 | |
| SCHEMBL10474619 | 0.85 | CHRNB4 (0.36) | PDE4APDE4BPDE4CPDE4DOPRM1 | |
| SCHEMBL10473370 | 0.85 | CHRNB4 (0.36) | PDE4APDE4BPDE4CPDE4DOPRM1 | |
| SCHEMBL10474431 | 0.85 | CHRNB4 (0.36) | PDE4APDE4BPDE4CPDE4DOPRM1 | |
| SCHEMBL10473757 | 0.85 | CHRNB4 (0.36) | PDE4APDE4BPDE4CPDE4DOPRM1 | |
| SCHEMBL10473363 | 0.84 | NOTUM (0.38) | NOTUMPTGER4OPRM1OPRD1OPRK1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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 |
| 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 |
| 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 |