Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.50 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.50 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.46 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.46 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.46 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.44 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.44 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.44 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.43 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.43 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.43 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.43 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.43 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
| ▸ | HTR2A | P28223 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL10473677 | 0.84 | HRH1 (0.45) | SIGMAR1HDAC1HDAC6ABCB1PTGS2 | |
| SCHEMBL10471979 | 0.84 | CYP19A1 (0.45) | HDAC1HDAC6PTGS2CYP19A1 | |
| SCHEMBL10472068 | 0.84 | CYP19A1 (0.45) | TDP1L3MBTL1PTGS2CYP19A1MAPK1 | |
| SCHEMBL10472797 | 0.83 | PTGS2 (0.63) | PTGS2 | |
| SCHEMBL10473733 | 0.83 | PTGS2 (0.63) | PTGS2 | |
| SCHEMBL10472760 | 0.82 | KMT2A (0.38) | PTGS2 | |
| SCHEMBL12630196 | 0.80 | SIGMAR1 (0.66) | TDP1L3MBTL1SIGMAR1HDAC1HDAC6 | |
| SCHEMBL10473607 | 0.79 | MMP1 (0.42) | TDP1L3MBTL1SIGMAR1HTR2A | |
| SCHEMBL1972535 | 0.79 | CYP19A1 (0.66) | L3MBTL1ABCB1CYP19A1GABRA1GABRG2 | |
| SCHEMBL10472044 | 0.77 | TDP1 (0.47) | TDP1L3MBTL1SIGMAR1HDAC1HDAC6 |
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 |
|---|---|---|---|---|---|---|---|
| US-4920221-A | CENTRAL NERVOUS SYSTEM ACTIVE AGENTS | PFIZER INC. (US) | 1990-04-24 | — | — | US | disclosed |
| US-4642373-A | Substituted dodecahydrotripheylenes, and decahydropyrrolo[1,2-f]phenanthridines as CNS agents | PFIZER INC. (US) | 1987-02-10 | — | — | 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 |