Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RAB9A | P51151 | 2/20 | 0.46 |
| ▸ | HRH3 | Q9Y5N1 | 8/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 4/20 | 0.43 |
| ▸ | CRBN | Q96SW2 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.40 |
| ▸ | HTR1A | P08908 | 1/20 | 0.40 |
| ▸ | DRD2 | P14416 | 1/20 | 0.40 |
| ▸ | DRD1 | P21728 | 1/20 | 0.40 |
| ▸ | DRD5 | P21918 | 1/20 | 0.40 |
| ▸ | HTR2A | P28223 | 1/20 | 0.40 |
| ▸ | DRD3 | P35462 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 2/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.39 |
| ▸ | LMNA | P02545 | 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 | |
|---|---|---|---|---|
| SCHEMBL8774625 | 1.00 | RAB9A (0.46) | RAB9AHRH3CYP2C9CRBNCYP3A4 | |
| SCHEMBL8775002 | 0.97 | RAB9A (0.44) | RAB9AHRH3CYP2C9CRBNCYP3A4 | |
| SCHEMBL8774998 | 0.97 | RAB9A (0.44) | RAB9AHRH3CYP2C9CRBNCYP3A4 | |
| SCHEMBL8774070 | 0.95 | RAB9A (0.41) | RAB9AHRH3CYP2C9CYP3A4HTR1A | |
| SCHEMBL8774077 | 0.95 | RAB9A (0.41) | RAB9AHRH3CYP2C9CYP3A4HTR1A | |
| SCHEMBL8774415 | 0.89 | DHODH (0.40) | RAB9ANPC1KDM4ELMNA | |
| SCHEMBL8774420 | 0.89 | DHODH (0.40) | RAB9ANPC1KDM4ELMNA | |
| SCHEMBL8774316 | 0.84 | SPHK1 (0.50) | — | |
| SCHEMBL8774311 | 0.84 | SPHK1 (0.50) | — | |
| SCHEMBL8775176 | 0.84 | RAB9A (0.40) | RAB9AHRH3CYP2C9CRBNCYP3A4 |
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 |