Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ATM | Q13315 | 1/20 | 0.81 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.54 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.44 |
| ▸ | RELA | Q04206 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.44 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | EPHB4 | P54760 | 1/20 | 0.42 |
| ▸ | TEK | Q02763 | 1/20 | 0.42 |
| ▸ | GRM5 | P41594 | 1/20 | 0.41 |
| ▸ | MKNK1 | Q9BUB5 | 2/20 | 0.40 |
| ▸ | MKNK2 | Q9HBH9 | 2/20 | 0.40 |
| ▸ | CCNC | P24863 | 1/20 | 0.40 |
| ▸ | CDK8 | P49336 | 1/20 | 0.40 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.39 |
| ▸ | CYP11B1 | P15538 | 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 | |
|---|---|---|---|---|
| SCHEMBL2118053 | 0.90 | ATM (1.00) | ATMCYP2A6NPC1NFKB1RAB9A | |
| SCHEMBL16648170 | 0.83 | ATM (0.85) | ATMCYP2A6NPC1NFKB1RAB9A | |
| Alcohol SCHEMBL28257176 | 0.82 | ATM (0.74) | ATMCYP2A6NPC1NFKB1RAB9A | |
| SCHEMBL24492853 | 0.79 | ATM (0.77) | ATMCYP2A6NPC1NFKB1RAB9A | |
| SCHEMBL5954583 | 0.79 | CYP2A6 (0.68) | ATMCYP2A6NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL24493202 | 0.79 | ATM (0.77) | ATMCYP2A6NPC1NFKB1RAB9A | |
| Biphenyl SCHEMBL522299 | 0.79 | ALDH1A1 (0.69) | ATMNPC1RAB9ASMN1; SMN2NOTUM | |
| Biphenyl SCHEMBL4442099 | 0.79 | ALDH1A1 (0.69) | ATMNPC1RAB9ASMN1; SMN2NOTUM | |
| SCHEMBL9974964 | 0.77 | ATM (0.74) | ATMCYP2A6NPC1NFKB1RAB9A | |
| SCHEMBL9975007 | 0.77 | ATM (0.74) | ATMCYP2A6NPC1NFKB1RAB9A |
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 |
|---|---|---|---|---|---|---|---|
| CN-111187201-A | Compound and organic electroluminescent device | 清华大学 | 2020-05-22 | — | — | CN | disclosed |