Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.45 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.43 |
| ▸ | CDK4 | P11802 | 3/20 | 0.41 |
| ▸ | CCND1 | P24385 | 3/20 | 0.41 |
| ▸ | ABCG2 | Q9UNQ0 | 3/20 | 0.40 |
| ▸ | ROCK2 | O75116 | 2/20 | 0.39 |
| ▸ | ROCK1 | Q13464 | 2/20 | 0.39 |
| ▸ | LMNA | P02545 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | ESRRG | P62508 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL1542669 | 0.85 | CYP3A4 (0.54) | CYP3A4ROCK2ROCK1LMNAALDH1A1 | |
| SCHEMBL1543036 | 0.81 | CYP3A4 (0.48) | CYP3A4KMT2A | |
| SCHEMBL1542439 | 0.77 | CYP3A4 (0.51) | CYP3A4ROCK2ROCK1LMNAALDH1A1 | |
| SCHEMBL2127832 | 0.77 | CYP3A4 (0.49) | CYP3A4ALDH1A1HPGDSMN1; SMN2 | |
| SCHEMBL2127598 | 0.74 | NR1H4 (0.40) | CYP3A4NR1H4ROCK2ROCK1MEN1 | |
| SCHEMBL1542596 | 0.73 | CYP3A4 (0.49) | CYP3A4ROCK2ROCK1SMN1; SMN2MEN1 | |
| SCHEMBL1542874 | 0.73 | CYP3A4 (0.51) | CYP3A4NR1H4MAPTSMN1; SMN2NPC1 | |
| SCHEMBL1542823 | 0.72 | CYP3A4 (0.50) | CYP3A4NR1H4ROCK2ROCK1ALDH1A1 | |
| SCHEMBL1542545 | 0.72 | SMYD2 (0.49) | CYP3A4 | |
| SCHEMBL2128506 | 0.71 | CYP3A4 (0.51) | CYP3A4ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2307372-B1 | HETEROCYCLIC ANTIVIRAL COMPOUNDS | HOFFMANN LA ROCHE (CH) | 2012-04-25 | — | — | EP | claimed |