Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ATM | Q13315 | 1/20 | 0.74 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.50 |
| ▸ | EPHB4 | P54760 | 1/20 | 0.44 |
| ▸ | TEK | Q02763 | 1/20 | 0.44 |
| ▸ | MKNK1 | Q9BUB5 | 1/20 | 0.42 |
| ▸ | MKNK2 | Q9HBH9 | 1/20 | 0.42 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.41 |
| ▸ | RELA | Q04206 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.41 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.41 |
| ▸ | XDH | P47989 | 1/20 | 0.40 |
| ▸ | USP7 | Q93009 | 1/20 | 0.40 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.40 |
| ▸ | BACE1 | P56817 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL9974964 | 1.00 | ATM (0.74) | ATMCYP2A6EPHB4TEKMKNK1 | |
| SCHEMBL9974999 | 0.92 | ATM (0.63) | ATMCYP2A6EPHB4TEKMKNK1 | |
| SCHEMBL2118053 | 0.86 | ATM (1.00) | ATMCYP2A6EPHB4TEKHDAC4 | |
| SCHEMBL9975006 | 0.86 | CYP2A6 (0.67) | ATMCYP2A6MKNK1MKNK2SMN1; SMN2 | |
| SCHEMBL9974958 | 0.86 | CYP2A6 (0.73) | ATMCYP2A6MKNK1MKNK2CYP19A1 | |
| SCHEMBL16648170 | 0.84 | ATM (0.85) | ATMCYP2A6EPHB4TEKMKNK1 | |
| SCHEMBL9974961 | 0.83 | ATM (0.48) | ATMCYP2A6SMN1; SMN2NOTUMXDH | |
| SCHEMBL9974924 | 0.81 | CYP2A6 (0.62) | CYP2A6MKNK1MKNK2NPC1RAB9A | |
| SCHEMBL9974947 | 0.81 | CYP2A6 (0.62) | CYP2A6MKNK1MKNK2NPC1RAB9A | |
| SCHEMBL6825018 | 0.81 | ALDH1A1 (0.60) | ATMCYP2A6NPC1RAB9ASMN1; SMN2 |
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 |