Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | HRH3 | Q9Y5N1 | 4/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.38 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.35 |
| ▸ | SPHK1 | Q9NYA1 | 2/20 | 0.35 |
| ▸ | CRBN | Q96SW2 | 1/20 | 0.35 |
| ▸ | HTR1A | P08908 | 1/20 | 0.35 |
| ▸ | DRD2 | P14416 | 1/20 | 0.35 |
| ▸ | DRD1 | P21728 | 1/20 | 0.35 |
| ▸ | DRD5 | P21918 | 1/20 | 0.35 |
| ▸ | HTR2A | P28223 | 1/20 | 0.35 |
| ▸ | DRD3 | P35462 | 1/20 | 0.35 |
| ▸ | RARA | P10276 | 1/20 | 0.35 |
| ▸ | RARB | P10826 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.34 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL8774826 | 1.00 | RAB9A (0.40) | RAB9AHRH3CYP2C9KCNH2SPHK1 | |
| SCHEMBL8775220 | 0.98 | RAB9A (0.39) | RAB9AHRH3CYP2C9KCNH2SPHK1 | |
| SCHEMBL8775232 | 0.98 | RAB9A (0.39) | RAB9AHRH3CYP2C9KCNH2SPHK1 | |
| SCHEMBL8774229 | 0.96 | RAB9A (0.35) | RAB9AHRH3CYP2C9KCNH2HTR1A | |
| SCHEMBL8774223 | 0.96 | RAB9A (0.35) | RAB9AHRH3CYP2C9KCNH2HTR1A | |
| SCHEMBL8774977 | 0.91 | MRGPRX4 (0.35) | RAB9ACYP2C9KCNH2 | |
| SCHEMBL8774966 | 0.91 | MRGPRX4 (0.35) | RAB9ACYP2C9KCNH2 | |
| SCHEMBL8774688 | 0.85 | SPHK1 (0.42) | HRH3CYP2C9SPHK1 | |
| SCHEMBL8774693 | 0.85 | SPHK1 (0.42) | HRH3CYP2C9SPHK1 | |
| SCHEMBL8774728 | 0.84 | SPHK1 (0.44) | CYP2C9SPHK1 |
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 |