Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.47 |
| ▸ | MAOA | P21397 | 1/20 | 0.46 |
| ▸ | MAOB | P27338 | 1/20 | 0.46 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.46 |
| ▸ | CHRM5 | P08912 | 3/20 | 0.45 |
| ▸ | CHRM1 | P11229 | 3/20 | 0.45 |
| ▸ | CHRM3 | P20309 | 3/20 | 0.45 |
| ▸ | GAA | P10253 | 3/20 | 0.45 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 2/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.43 |
| ▸ | G6PD | P11413 | 1/20 | 0.43 |
| ▸ | OPRM1 | P35372 | 5/20 | 0.42 |
| ▸ | TACR1 | P25103 | 2/20 | 0.41 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.41 |
| ▸ | OPRD1 | P41143 | 2/20 | 0.41 |
| ▸ | OPRK1 | P41145 | 2/20 | 0.41 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.41 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.41 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL4631291 | 0.89 | TACR1 (0.56) | OPRM1TACR1SLC6A4KCNH2 | |
| SCHEMBL11824385 | 0.89 | KCNA3 (0.50) | ALDH1A1CHRM5CHRM1CHRM3GAA | |
| SCHEMBL11819540 | 0.88 | DPP4 (0.42) | ALDH1A1CHRM5CHRM1CHRM3GAA | |
| SCHEMBL11821600 | 0.88 | DPP4 (0.42) | ALDH1A1CHRM5CHRM1CHRM3GAA | |
| SCHEMBL11819537 | 0.88 | DPP4 (0.42) | ALDH1A1CHRM5CHRM1CHRM3GAA | |
| SCHEMBL8130594 | 0.85 | MAOA (0.48) | MAOAMAOBTAAR1CHRM5CHRM1 | |
| SCHEMBL8130597 | 0.85 | MAOA (0.48) | MAOAMAOBTAAR1CHRM5CHRM1 | |
| Hydrochloric Acid SCHEMBL11828126 | 0.85 | OPRL1 (0.44) | ALDH1A1CHRM5CHRM1CHRM3GAA | |
| Hydrochloric Acid SCHEMBL11828119 | 0.85 | OPRL1 (0.44) | ALDH1A1CHRM5CHRM1CHRM3GAA | |
| SCHEMBL11090978 | 0.85 | DPP4 (0.47) | CHRM5CHRM1CHRM3LMNA |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6274583-B1 | Alpha 1a adrenergic receptor antagonists | MERCK & CO., INC. | 2001-08-14 | — | — | US | disclosed |
| US-5977115-A | Alpha 1a adrenergic receptor antagonists | MERCK & CO., INC. (US) | 1999-11-02 | — | — | US | disclosed |
| EP-0833637-A4 | ALPHA 1a ADRENERGIC RECEPTOR ANTAGONIST | MERCK & CO INC (US) | 1998-07-08 | — | — | EP | disclosed |
| EP-0833637-A1 | ALPHA 1a ADRENERGIC RECEPTOR ANTAGONIST | Merck & Co., Inc. (US) | 1998-04-08 | — | — | EP | disclosed |
| WO-1996040136-A1 | ALPHA 1a ADRENERGIC RECEPTOR ANTAGONIST | MERCK & CO., INC. (US) | 1996-12-19 | — | — | WO | disclosed |