Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.42 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.40 |
| ▸ | HRH4 | Q9H3N8 | 3/20 | 0.40 |
| ▸ | CHIA | Q9BZP6 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.37 |
| ▸ | TRPV6 | Q9H1D0 | 1/20 | 0.37 |
| ▸ | SLC2A1 | P11166 | 1/20 | 0.37 |
| ▸ | SLC2A2 | P11168 | 1/20 | 0.37 |
| ▸ | SLC2A3 | P11169 | 1/20 | 0.37 |
| ▸ | MALT1 | Q9UDY8 | 1/20 | 0.37 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL5762922 | 0.86 | MCHR1 (0.47) | CYP1A2MCHR1CHIA | |
| SCHEMBL5760136 | 0.85 | ROCK2 (0.51) | MCHR1HRH4CHIA | |
| SCHEMBL5759920 | 0.84 | TRPV1 (0.42) | MCHR1CHIA | |
| SCHEMBL5761129 | 0.83 | MCHR1 (0.45) | MCHR1 | |
| SCHEMBL5763103 | 0.83 | HPGD (0.43) | ALDH1A1TSHRCHIAKMT2A | |
| SCHEMBL5759635 | 0.82 | HPGD (0.40) | TSHRMCHR1HRH4CHIAKMT2A | |
| SCHEMBL5790113 | 0.82 | LMNA (0.40) | MCHR1CHIA | |
| SCHEMBL5790448 | 0.82 | ROCK2 (0.37) | MCHR1HRH4CHIA | |
| SCHEMBL5762721 | 0.81 | MCHR1 (0.48) | MCHR1 | |
| SCHEMBL5758903 | 0.81 | MCHR1 (0.38) | MCHR1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7101885-B2 | 1-(4-Bromo-phenyl)-3-[2-(4-methyl-piperazin-1-yl)-pyridin-3-yloxy]-pyrrolidin-2-one; antagonists of the serotonin 5HT1B receptor; treating depression | PFIZER INC (US) | 2006-09-05 | — | — | US | disclosed |