Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPK1 | P28482 | 2/20 | 0.42 |
| ▸ | KCNH2 | Q12809 | 4/20 | 0.33 |
| ▸ | EPHX2 | P34913 | 2/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.32 |
| ▸ | AKT1 | P31749 | 2/20 | 0.31 |
| ▸ | ROCK2 | O75116 | 2/20 | 0.31 |
| ▸ | MC4R | P32245 | 1/20 | 0.30 |
| ▸ | TLR2 | O60603 | 1/20 | 0.30 |
| ▸ | TLR1 | Q15399 | 1/20 | 0.30 |
| ▸ | NPC1 | O15118 | 1/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | RAB9A | P51151 | 1/20 | 0.30 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.30 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.30 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.30 |
| ▸ | TAS1R2 | Q8TE23 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL18360641 | 0.84 | EPHX2 (0.38) | MAPK1KCNH2EPHX2AKT1ROCK2 | |
| SCHEMBL18360591 | 0.78 | EPHX2 (0.44) | KCNH2EPHX2 | |
| SCHEMBL15065268 | 0.76 | MAPK1 (0.45) | MAPK1 | |
| SCHEMBL15065266 | 0.76 | MAPK1 (0.45) | MAPK1 | |
| SCHEMBL15065269 | 0.76 | MAPK1 (0.45) | MAPK1 | |
| SCHEMBL806816 | 0.76 | MAPK1 (0.45) | MAPK1 | |
| SCHEMBL18360575 | 0.75 | MAPK1 (0.36) | MAPK1EPHX2 | |
| SCHEMBL18360675 | 0.73 | MAOA (0.33) | ALDH1A1 | |
| SCHEMBL18360581 | 0.67 | — | — | |
| SCHEMBL15064707 | 0.67 | BRD4 (0.50) | — |
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-2615916-B1 | FUSED PYRAZOLE DERIVATIVES AS NOVEL ERK INHIBITORS | MERCK SHARP & DOHME (US) | 2017-01-04 | — | — | EP | disclosed |