Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | CA2 | P00918 | 2/20 | 0.35 |
| ▸ | ESRRG | P62508 | 1/20 | 0.35 |
| ▸ | CA12 | O43570 | 1/20 | 0.34 |
| ▸ | CA1 | P00915 | 1/20 | 0.34 |
| ▸ | CA9 | Q16790 | 1/20 | 0.34 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.34 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.34 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.34 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.34 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.34 |
| ▸ | DRD2 | P14416 | 1/20 | 0.34 |
| ▸ | DRD3 | P35462 | 1/20 | 0.34 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | CYP26A1 | O43174 | 1/20 | 0.34 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.34 |
| ▸ | CD274 | Q9NZQ7 | 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 | |
|---|---|---|---|---|
| SCHEMBL20299909 | 0.90 | ACACB (0.36) | NPC1RAB9ACA2ADRB2ADRB1 | |
| SCHEMBL13984819 | 0.89 | MIF (0.37) | CA2CA12CA1CA9CA14 | |
| SCHEMBL15235730 | 0.88 | ADRB2 (0.34) | NPC1RAB9ACA2ESRRGADRB2 | |
| SCHEMBL13267033 | 0.86 | GPR119 (0.40) | ADRB2ADRB1ADRB3CYP17A1EPHX2 | |
| SCHEMBL16820663 | 0.84 | TAS1R3 (0.35) | CA2TAS1R3TAS1R1 | |
| SCHEMBL30479489 | 0.84 | ALDH1A1 (0.43) | NPC1RAB9ACA12CA14ALDH1A1 | |
| SCHEMBL30479490 | 0.84 | ALDH1A1 (0.43) | NPC1RAB9ACA12CA14ALDH1A1 | |
| SCHEMBL16820664 | 0.84 | TAS1R3 (0.35) | CA2TAS1R3TAS1R1 | |
| SCHEMBL13984789 | 0.83 | PPARA (0.41) | RAB9AALDH1A1HDAC1TAS1R3TAS1R1 | |
| SCHEMBL13267265 | 0.82 | ALDH1A1 (0.49) | ALDH1A1TAS1R3TAS1R1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2012031298-A2 | ETHYNYLBENZENE DERIVATIVES | DUKE UNIVERSITY (US) | 2012-03-08 | — | — | WO | disclosed |