Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 1/20 | 0.63 |
| ▸ | CYP19A1 | P11511 | 4/20 | 0.50 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.50 |
| ▸ | HTR2A | P28223 | 1/20 | 0.49 |
| ▸ | HTR2C | P28335 | 1/20 | 0.49 |
| ▸ | HTR2B | P41595 | 1/20 | 0.49 |
| ▸ | MTNR1A | P48039 | 4/20 | 0.48 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.48 |
| ▸ | DRD2 | P14416 | 1/20 | 0.47 |
| ▸ | DRD3 | P35462 | 1/20 | 0.47 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.47 |
| ▸ | NQO2 | P16083 | 3/20 | 0.46 |
| ▸ | MTNR1B | P49286 | 3/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL10607832 | 0.90 | ACHE (0.53) | ACHECYP19A1CYP11B1HTR2AHTR2C | |
| SCHEMBL20231619 | 0.87 | CYP19A1 (0.50) | ACHECYP19A1HTR2CDRD2DRD3 | |
| SCHEMBL24039957 | 0.87 | CYP19A1 (0.50) | ACHECYP19A1HTR2CDRD2DRD3 | |
| SCHEMBL9537763 | 0.79 | MTNR1A (0.54) | ACHEMTNR1ANQO2MTNR1B | |
| SCHEMBL13853643 | 0.79 | ACHE (0.97) | ACHE | |
| SCHEMBL10609043 | 0.79 | ACHE (0.55) | ACHEMTNR1ANQO2MTNR1B | |
| SCHEMBL9536363 | 0.78 | ACHE (0.51) | ACHEMTNR1ANQO2MTNR1B | |
| SCHEMBL20231620 | 0.78 | CHRNA7 (0.48) | CYP19A1HTR2CSIGMAR1CHRNA7 | |
| SCHEMBL20232080 | 0.78 | CHRNA7 (0.48) | CYP19A1HTR2CSIGMAR1CHRNA7 | |
| SCHEMBL13306290 | 0.77 | HTR2C (0.66) | CYP19A1CYP11B1HTR2AHTR2CHTR2B |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0150192-B1 | BICYCLIC BENZENOID AMINOALKYLENE ETHERS AND THIOETHERS | RORER INTERNATIONAL (OVERSEAS) INC. (US) | 1989-12-20 | — | — | EP | disclosed |
| US-4745110-A | ANTIULCER AGENTS, ANTISECRETORY AGENTS | RORER PHARMACEUTICAL CORPORATION (US) | 1988-05-17 | — | — | US | disclosed |
| US-4692445-A | ANTISECRETORY, ANTIULCEROGENIC AGENTS | RORER PHARMACEUTICAL CORPORATION (US) | 1987-09-08 | — | — | US | disclosed |
| US-4647559-A | ANTISECRETORY AND ANTIULCER AGENTS | WILLIAM H. RORER, INC. (US) | 1987-03-03 | — | — | US | disclosed |
| US-4638001-A | ANTISECRETORY, ANTIULCER AGENTS | WILLIAM H. RORER, INC. (US) | 1987-01-20 | — | — | US | disclosed |
| US-4588719-A | ANTISCERETORY AGENTS, ANTIULCER AGENTS | WILLIAM H. RORER, INC. (US) | 1986-05-13 | — | — | US | disclosed |
| EP-0150192-A4 | BICYCLIC BENZENOID AMINOALKYLENE ETHERS AND THIOETHERS. | RORER INTERNAT OVERSEAS INC (US) | 1985-09-16 | — | — | EP | disclosed |
| EP-0150192-A1 | BICYCLIC BENZENOID AMINOALKYLENE ETHERS AND THIOETHERS. | RORER INT OVERSEAS (US) | 1985-08-07 | — | — | EP | disclosed |
| US-4529723-A | Gastrointestinal disorders; antiulcer agents | WILLIAM H. RORER, INC. (US) | 1985-07-16 | — | — | US | disclosed |
| WO-1984004247-A1 | BICYCLIC BENZENOID AMINOALKYLENE ETHERS AND THIOETHERS, AND THEIR PHARMACEUTICAL USES | RORER INT OVERSEAS (US) | 1984-11-08 | — | — | WO | disclosed |