Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A2 | P23975 | 17/20 | 0.43 |
| ▸ | SLC6A4 | P31645 | 17/20 | 0.43 |
| ▸ | SLC6A3 | Q01959 | 17/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 16/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 16/20 | 0.43 |
| ▸ | KCNH2 | Q12809 | 12/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL8062809 | 0.81 | PNMT (0.41) | SLC6A2SLC6A4SLC6A3CYP3A4CYP2D6 | |
| SCHEMBL8062813 | 0.81 | PNMT (0.41) | SLC6A2SLC6A4SLC6A3CYP3A4CYP2D6 | |
| SCHEMBL8580760 | 0.81 | PNMT (0.41) | SLC6A2SLC6A4SLC6A3CYP3A4CYP2D6 | |
| SCHEMBL8053274 | 0.78 | ALDH1A1 (0.40) | SLC6A2SLC6A4SLC6A3CYP3A4CYP2D6 | |
| SCHEMBL8053273 | 0.78 | ALDH1A1 (0.40) | SLC6A2SLC6A4SLC6A3CYP3A4CYP2D6 | |
| SCHEMBL6424065 | 0.74 | SLC6A2 (0.51) | SLC6A2SLC6A4SLC6A3CYP3A4CYP2D6 | |
| SCHEMBL6424063 | 0.74 | SLC6A2 (0.51) | SLC6A2SLC6A4SLC6A3CYP3A4CYP2D6 | |
| SCHEMBL7498979 | 0.74 | SLC6A2 (0.38) | SLC6A2SLC6A4SLC6A3CYP3A4CYP2D6 | |
| SCHEMBL8880185 | 0.73 | SLC6A2 (0.40) | SLC6A2SLC6A4SLC6A3CYP3A4CYP2D6 | |
| SCHEMBL8564048 | 0.73 | SLC6A2 (0.40) | SLC6A2SLC6A4SLC6A3CYP3A4CYP2D6 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6013644-A | AIDS THERAPY | MERCK & CO., INC. (US) | 2000-01-11 | — | — | US | disclosed |
| US-5869496-A | TREATING ASTHMA, EMESIS | MERCK & CO., INC. (US) | 1999-02-09 | — | — | US | disclosed |
| EP-0681571-B1 | SPIRO-SUBSTITUTED AZACYCLES AS TACHYKININ RECEPTOR ANTAGONISTS | MERCK & CO INC (US) | 1998-07-29 | — | — | EP | disclosed |
| WO-1998025604-A1 | SPIRO-SUBSTITUTED AZACYCLES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY | MERCK & CO., INC. (US) | 1998-06-18 | — | — | WO | disclosed |
| EP-0681571-A1 | SPIRO-SUBSTITUTED AZACYCLES AS TACHYKININ RECEPTOR ANTAGONISTS | MERCK & CO. INC. (US) | 1995-11-15 | — | — | EP | disclosed |
| WO-1994017045-A1 | SPIRO-SUBSTITUTED AZACYCLES AS TACHYKININ RECEPTOR ANTAGONISTS | MERCK & CO., INC. (US) | 1994-08-04 | — | — | WO | disclosed |