Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | HRH3 | Q9Y5N1 | 6/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 5/20 | 0.38 |
| ▸ | CHRNB2 | P17787 | 2/20 | 0.36 |
| ▸ | CHRNA2 | Q15822 | 2/20 | 0.36 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.36 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.36 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 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 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 3/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL8775176 | 1.00 | RAB9A (0.40) | RAB9AHRH3CYP2C9CHRNB2CHRNA2 | |
| SCHEMBL8775006 | 0.96 | CHRNB2 (0.36) | RAB9AHRH3CYP2C9CHRNB2CHRNA2 | |
| SCHEMBL8775019 | 0.96 | CHRNB2 (0.36) | RAB9AHRH3CYP2C9CHRNB2CHRNA2 | |
| SCHEMBL8774067 | 0.91 | CHRNB2 (0.38) | RAB9ACHRNB2CHRNA2CHRNB4CHRNA3 | |
| SCHEMBL8774073 | 0.91 | CHRNB2 (0.38) | RAB9ACHRNB2CHRNA2CHRNB4CHRNA3 | |
| SCHEMBL9161238 | 0.84 | RAB9A (0.41) | RAB9AHRH3CYP2C9CHRNB2CHRNA2 | |
| SCHEMBL9161230 | 0.84 | RAB9A (0.41) | RAB9AHRH3CYP2C9CHRNB2CHRNA2 | |
| SCHEMBL8774525 | 0.84 | RAB9A (0.39) | RAB9AHRH3CYP2C9CRBNHTR1A | |
| SCHEMBL8774512 | 0.84 | RAB9A (0.39) | RAB9AHRH3CYP2C9CRBNHTR1A | |
| SCHEMBL8774616 | 0.84 | RAB9A (0.46) | RAB9AHRH3CYP2C9CYP2D6CRBN |
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 |