Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TP53 | P04637 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | MAOA | P21397 | 3/20 | 0.44 |
| ▸ | MAOB | P27338 | 2/20 | 0.44 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.43 |
| ▸ | ADRB2 | P07550 | 4/20 | 0.43 |
| ▸ | PNMT | P11086 | 1/20 | 0.41 |
| ▸ | TAAR1 | Q96RJ0 | 4/20 | 0.39 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.38 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.38 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.38 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.38 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.38 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.38 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL27580198 | 0.84 | MAOA (0.46) | MAOAMAOBCYP19A1ADRB2PNMT | |
| SCHEMBL1654191 | 0.81 | TP53 (0.49) | TP53TSHRMAOAPNMTTAAR1 | |
| SCHEMBL9631362 | 0.80 | TP53 (0.47) | TP53TSHRMAOAMAOBTAAR1 | |
| SCHEMBL951869 | 0.79 | PNMT (0.62) | MAOAMAOBCYP19A1ADRB2PNMT | |
| SCHEMBL153431 | 0.79 | MAOA (0.52) | MAOAMAOBCYP19A1ADRB2PNMT | |
| SCHEMBL29403479 | 0.79 | MAOA (0.52) | MAOAMAOBCYP19A1ADRB2PNMT | |
| SCHEMBL11059954 | 0.79 | PNMT (0.62) | MAOAMAOBCYP19A1ADRB2PNMT | |
| SCHEMBL11056699 | 0.79 | PNMT (0.62) | MAOAMAOBCYP19A1ADRB2PNMT | |
| SCHEMBL27864550 | 0.79 | PNMT (0.62) | TP53TSHRPNMTTAAR1 | |
| SCHEMBL1109101 | 0.79 | MAOA (0.44) | TSHRMAOAMAOBCYP19A1ADRB2 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-1993017011-A1 | BENZODIAZEPINE DERIVATIVES, AS CCK AND GASTRIN ANTAGONISTS | MERCK SHARP & DOHME LIMITED (GB) | 1993-09-02 | — | — | WO | disclosed |