Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.39 |
| ▸ | MAOB | P27338 | 7/20 | 0.39 |
| ▸ | TNKS | O95271 | 1/20 | 0.38 |
| ▸ | PARP1 | P09874 | 1/20 | 0.38 |
| ▸ | TNKS2 | Q9H2K2 | 1/20 | 0.38 |
| ▸ | PARP2 | Q9UGN5 | 1/20 | 0.38 |
| ▸ | COMT | P21964 | 1/20 | 0.37 |
| ▸ | MAOA | P21397 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | TP53 | P04637 | 2/20 | 0.36 |
| ▸ | ENPP1 | P22413 | 2/20 | 0.36 |
| ▸ | ENPP3 | O14638 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | RET | P07949 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.36 |
| ▸ | KDR | P35968 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | GPR84 | Q9NQS5 | 1/20 | 0.36 |
| ▸ | AR | P10275 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL16801277 | 0.92 | ALDH1A1 (0.39) | MAOBMAOAALDH1A1ENPP1ENPP3 | |
| SCHEMBL16801450 | 0.90 | ALDH1A1 (0.38) | MAOBMAOAALDH1A1ENPP1ENPP3 | |
| SCHEMBL16801270 | 0.86 | ENPP3 (0.43) | MAOBMAOAALDH1A1ENPP1ENPP3 | |
| SCHEMBL16801073 | 0.84 | ALDH1A1 (0.40) | ADORA3MAOBTNKSPARP1TNKS2 | |
| SCHEMBL18159548 | 0.83 | ALDH1A1 (0.38) | MAOBMAOAALDH1A1TP53TSHR | |
| SCHEMBL16801129 | 0.83 | ALDH1A1 (0.43) | MAOBMAOAALDH1A1TSHRNPC1 | |
| SCHEMBL16800612 | 0.83 | ALDH1A1 (0.43) | MAOBMAOAALDH1A1TSHRNPC1 | |
| SCHEMBL18159552 | 0.83 | HPGD (0.39) | MAOAALDH1A1TSHRHTTNPC1 | |
| SCHEMBL16801060 | 0.82 | ALDH1A1 (0.36) | MAOBMAOAALDH1A1TSHRNPC1 | |
| SCHEMBL18159530 | 0.80 | ENPP3 (0.46) | MAOBMAOAALDH1A1ENPP1ENPP3 |
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-2015082046-A2 | SUBSTITUTED OXEPINES | MERCK PATENT GMBH (DE) | 2015-06-11 | — | — | WO | disclosed |