Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 1/20 | 0.53 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | CCR1 | P32246 | 1/20 | 0.43 |
| ▸ | CCR5 | P51681 | 1/20 | 0.43 |
| ▸ | CCR8 | P51685 | 1/20 | 0.43 |
| ▸ | METAP1 | P53582 | 1/20 | 0.43 |
| ▸ | BLM | P54132 | 1/20 | 0.43 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.43 |
| ▸ | DOHH | Q9BU89 | 1/20 | 0.43 |
| ▸ | P4HTM | Q9NXG6 | 1/20 | 0.43 |
| ▸ | CHEK2 | O96017 | 1/20 | 0.43 |
| ▸ | TGFBR1 | P36897 | 3/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL9974933 | 0.95 | CYP2A6 (0.51) | CYP2A6CYP1A2KDM4ELMNAPOLB | |
| SCHEMBL9975005 | 0.88 | CYP2A6 (0.47) | CYP2A6CYP1A2KDM4ELMNAPOLB | |
| SCHEMBL14655918 | 0.87 | KDM4E (0.56) | CYP2A6CYP1A2KDM4ELMNAPOLB | |
| SCHEMBL16606291 | 0.85 | CYP2A6 (0.47) | CYP2A6CYP1A2KDM4ELMNAPOLB | |
| SCHEMBL9974928 | 0.85 | CYP2A6 (0.71) | CYP2A6CYP1A2KDM4ECHEK2TGFBR1 | |
| SCHEMBL9974929 | 0.84 | CYP2A6 (0.48) | CYP2A6CYP1A2KDM4ELMNAPOLB | |
| SCHEMBL9974907 | 0.83 | LMNA (0.52) | CYP2A6CYP1A2KDM4ELMNAPOLB | |
| SCHEMBL9974931 | 0.83 | KDM4E (0.52) | CYP2A6CYP1A2KDM4ELMNAPOLB | |
| SCHEMBL9974981 | 0.83 | CYP2A6 (0.69) | CYP2A6CYP1A2TGFBR1CYP19A1PIK3CA | |
| SCHEMBL30338847 | 0.83 | CYP2A6 (0.67) | CYP2A6CYP1A2KDM4ELMNAPOLB |
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-2012081541-A1 | 1, 2, 4, 5-SUBSTITUTED PHENYL DERIVATIVE, PRODUCTION METHOD FOR SAME, AND ORGANIC ELECTROLUMINESCENT ELEMENT | 東ソー株式会社 (JP) | 2012-06-21 | — | — | WO | disclosed |