Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS1 | P23219 | 1/20 | 0.36 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.36 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.36 |
| ▸ | TRPV1 | Q8NER1 | 4/20 | 0.32 |
| ▸ | DHODH | Q02127 | 2/20 | 0.32 |
| ▸ | ENPP3 | O14638 | 1/20 | 0.32 |
| ▸ | ENPP1 | P22413 | 1/20 | 0.32 |
| ▸ | TGFBR1 | P36897 | 1/20 | 0.31 |
| ▸ | PDK1 | Q15118 | 2/20 | 0.31 |
| ▸ | CNR2 | P34972 | 1/20 | 0.30 |
| ▸ | SQOR | Q9Y6N5 | 2/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL16889690 | 0.82 | — | — | |
| SCHEMBL16889611 | 0.82 | S1PR1 (0.37) | ENPP3ENPP1 | |
| SCHEMBL16889592 | 0.82 | CYP17A1 (0.41) | DHODH | |
| SCHEMBL16890514 | 0.81 | ENPP3 (0.36) | ENPP3ENPP1 | |
| SCHEMBL16889394 | 0.81 | GRM5 (0.36) | CYP2A6TGFBR1 | |
| SCHEMBL16891244 | 0.81 | CA12 (0.36) | ENPP3ENPP1 | |
| SCHEMBL16889397 | 0.81 | NOTUM (0.40) | — | |
| SCHEMBL16889408 | 0.80 | CYP2A6 (0.40) | PTGS1PTGS2CYP2A6TRPV1DHODH | |
| SCHEMBL16890515 | 0.79 | ENPP3 (0.36) | ENPP3ENPP1 | |
| SCHEMBL16889538 | 0.79 | CYP2A6 (0.38) | CYP2A6TRPV1DHODHPDK1CNR2 |
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-2015102118-A1 | POLYCYCLIC AROMATIC COMPOUND | 学校法人関西学院 | 2015-07-09 | — | — | WO | disclosed |