Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | HRH3 | Q9Y5N1 | 8/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 4/20 | 0.38 |
| ▸ | MAOA | P21397 | 2/20 | 0.38 |
| ▸ | MAOB | P27338 | 2/20 | 0.38 |
| ▸ | DRD2 | P14416 | 2/20 | 0.38 |
| ▸ | HTR1A | P08908 | 1/20 | 0.38 |
| ▸ | DRD1 | P21728 | 1/20 | 0.38 |
| ▸ | DRD5 | P21918 | 1/20 | 0.38 |
| ▸ | HTR2A | P28223 | 1/20 | 0.38 |
| ▸ | DRD3 | P35462 | 1/20 | 0.38 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.37 |
| ▸ | MRGPRX4 | Q96LA9 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL8774077 | 1.00 | RAB9A (0.41) | RAB9AALDH1A1MAPTCYP1A2CYP2D6 | |
| SCHEMBL8774616 | 0.95 | RAB9A (0.46) | RAB9ACYP2D6HRH3CYP2C9DRD2 | |
| SCHEMBL8774625 | 0.95 | RAB9A (0.46) | RAB9ACYP2D6HRH3CYP2C9DRD2 | |
| SCHEMBL8775002 | 0.92 | RAB9A (0.44) | RAB9ACYP2D6HRH3CYP2C9DRD2 | |
| SCHEMBL8774998 | 0.92 | RAB9A (0.44) | RAB9ACYP2D6HRH3CYP2C9DRD2 | |
| SCHEMBL8774420 | 0.89 | DHODH (0.40) | RAB9AALDH1A1MAOAMAOBMRGPRX4 | |
| SCHEMBL8774415 | 0.89 | DHODH (0.40) | RAB9AALDH1A1MAOAMAOBMRGPRX4 | |
| SCHEMBL8774223 | 0.84 | RAB9A (0.35) | RAB9AALDH1A1MAPTCYP1A2CYP2D6 | |
| SCHEMBL8774229 | 0.84 | RAB9A (0.35) | RAB9AALDH1A1MAPTCYP1A2CYP2D6 | |
| SCHEMBL8775006 | 0.84 | CHRNB2 (0.36) | RAB9AALDH1A1MAPTCYP1A2CYP2D6 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0519370-B1 | Heterocyclic derivatives | MERCK PATENT GMBH (DE) | 1997-11-05 | — | — | EP | disclosed |
| EP-0519370-A2 | Heterocyclic derivatives | MERCK PATENT GmbH (DE) | 1992-12-23 | — | — | EP | disclosed |