Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPK1 | P28482 | 2/20 | 0.65 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.65 |
| ▸ | MME | P08473 | 3/20 | 0.54 |
| ▸ | HPGD | P15428 | 1/20 | 0.52 |
| ▸ | ROCK2 | O75116 | 3/20 | 0.51 |
| ▸ | ROCK1 | Q13464 | 3/20 | 0.51 |
| ▸ | RPS6KA5 | O75582 | 1/20 | 0.51 |
| ▸ | RPS6KA4 | O75676 | 1/20 | 0.51 |
| ▸ | PRKACA | P17612 | 1/20 | 0.51 |
| ▸ | GSK3A | P49840 | 1/20 | 0.51 |
| ▸ | GSK3B | P49841 | 1/20 | 0.51 |
| ▸ | IRAK1 | P51617 | 1/20 | 0.51 |
| ▸ | PRKX | P51817 | 1/20 | 0.51 |
| ▸ | PRKG1 | Q13976 | 1/20 | 0.51 |
| ▸ | PKN2 | Q16513 | 1/20 | 0.51 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.51 |
| ▸ | SGK2 | Q9HBY8 | 1/20 | 0.51 |
| ▸ | PARP1 | P09874 | 1/20 | 0.49 |
| ▸ | PARP3 | Q9Y6F1 | 1/20 | 0.49 |
| ▸ | NPC1 | O15118 | 2/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL12880450 | 1.00 | MAPK1 (0.65) | MAPK1CYP3A4MMEHPGDROCK2 | |
| SCHEMBL27803383 | 1.00 | MAPK1 (0.65) | MAPK1CYP3A4MMEHPGDROCK2 | |
| SCHEMBL4344248 | 0.88 | MAPK1 (0.66) | MAPK1CYP3A4MMEHPGDROCK2 | |
| SCHEMBL13502648 | 0.87 | MAPK1 (0.61) | MAPK1CYP3A4MMEHPGDROCK2 | |
| SCHEMBL22479796 | 0.85 | MME (0.53) | MAPK1CYP3A4MMEHPGDNPC1 | |
| SCHEMBL14376581 | 0.85 | CNR1 (0.58) | MAPK1CYP3A4LMNA | |
| SCHEMBL9068996 | 0.85 | MME (0.73) | MAPK1CYP3A4MMEROCK2ROCK1 | |
| SCHEMBL27623676 | 0.84 | CERT1 (0.59) | MAPK1CYP3A4MMEHPGDPARP1 | |
| SCHEMBL8231536 | 0.84 | MAPK1 (0.66) | MAPK1CYP3A4MMEHPGDROCK2 | |
| SCHEMBL25159733 | 0.83 | MAPK1 (0.60) | MAPK1CYP3A4MMEROCK2ROCK1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2012174407-A1 | METHOD OF PRODUCING BERAPROST | Lung LLC (US) | 2012-12-20 | — | — | WO | disclosed |
| US-7354919-B2 | Isoxazole compositions useful as inhibitors of ERK | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2008-04-08 | — | — | US | disclosed |