Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | MAPT | P10636 | 2/20 | 0.34 |
| ▸ | MRGPRX4 | Q96LA9 | 1/20 | 0.34 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | PDGFRB | P09619 | 1/20 | 0.33 |
| ▸ | PDGFRA | P16234 | 1/20 | 0.33 |
| ▸ | HTR1A | P08908 | 1/20 | 0.33 |
| ▸ | DRD2 | P14416 | 1/20 | 0.33 |
| ▸ | DRD1 | P21728 | 1/20 | 0.33 |
| ▸ | DRD5 | P21918 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL8774223 | 1.00 | RAB9A (0.35) | RAB9AKCNH2CYP2C9ALDH1A1MAPT | |
| SCHEMBL8774826 | 0.96 | RAB9A (0.40) | RAB9AKCNH2CYP2C9HRH3HTR1A | |
| SCHEMBL8774816 | 0.96 | RAB9A (0.40) | RAB9AKCNH2CYP2C9HRH3HTR1A | |
| SCHEMBL8775220 | 0.94 | RAB9A (0.39) | RAB9AKCNH2CYP2C9MRGPRX4HRH3 | |
| SCHEMBL8775232 | 0.94 | RAB9A (0.39) | RAB9AKCNH2CYP2C9MRGPRX4HRH3 | |
| SCHEMBL8774977 | 0.91 | MRGPRX4 (0.35) | RAB9AKCNH2CYP2C9ALDH1A1MAPT | |
| SCHEMBL8774966 | 0.91 | MRGPRX4 (0.35) | RAB9AKCNH2CYP2C9ALDH1A1MAPT | |
| SCHEMBL9160931 | 0.84 | ACACB (0.38) | RAB9AKCNH2CYP2C9ALDH1A1MAPT | |
| SCHEMBL9160937 | 0.84 | ACACB (0.38) | RAB9AKCNH2CYP2C9ALDH1A1MAPT | |
| SCHEMBL8774077 | 0.84 | RAB9A (0.41) | RAB9AKCNH2CYP2C9ALDH1A1MAPT |
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 |