Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.40 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.40 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.39 |
| ▸ | MCHR1 | Q99705 | 6/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.38 |
| ▸ | CA12 | O43570 | 2/20 | 0.36 |
| ▸ | CA1 | P00915 | 2/20 | 0.36 |
| ▸ | CA2 | P00918 | 2/20 | 0.36 |
| ▸ | CA7 | P43166 | 2/20 | 0.36 |
| ▸ | CA9 | Q16790 | 2/20 | 0.36 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.35 |
| ▸ | PDCD1 | Q15116 | 1/20 | 0.35 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.35 |
| ▸ | GPR119 | Q8TDV5 | 1/20 | 0.33 |
| ▸ | CYP4F2 | P78329 | 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 | |
|---|---|---|---|---|
| SCHEMBL13613898 | 0.90 | RXRA (0.43) | HRH3HRH4CA12CA1CA2 | |
| SCHEMBL13986027 | 0.89 | FASN (0.39) | HRH3HRH4HSD17B1CA12CA1 | |
| SCHEMBL13986012 | 0.88 | HTR2A (0.37) | HSD17B1CA12CA1CA2CA7 | |
| SCHEMBL13613881 | 0.86 | PTGS2 (0.43) | CA12CA1CA2CA7CA9 | |
| SCHEMBL14524808 | 0.84 | PDCD1 (0.39) | HRH3HRH4HSD17B1MCHR1CA12 | |
| SCHEMBL4513926 | 0.81 | NOS3 (0.44) | CYP2D6CA12CA1CA2CA7 | |
| SCHEMBL13613899 | 0.81 | NR1H4 (0.36) | CA12CA1CA2CA7CA9 | |
| SCHEMBL4511652 | 0.78 | CA12 (0.37) | CA12CA1CA2CA7CA9 | |
| SCHEMBL4527243 | 0.77 | FFAR1 (0.40) | CA12CA1CA2CA7CA9 | |
| SCHEMBL4518329 | 0.75 | ACACB (0.37) | — |
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-7468391-B2 | Methods for treating retinoid responsive disorders using selective inhibitors of CYP26A and CYP26B | ALLERGAN, INC. (US) | 2008-12-23 | — | — | US | disclosed |