Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | OPRM1 | P35372 | 3/20 | 0.39 |
| ▸ | OPRD1 | P41143 | 3/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.37 |
| ▸ | CASP1 | P29466 | 1/20 | 0.35 |
| ▸ | SYK | P43405 | 1/20 | 0.35 |
| ▸ | OPRK1 | P41145 | 2/20 | 0.35 |
| ▸ | JAK3 | P52333 | 2/20 | 0.34 |
| ▸ | JAK2 | O60674 | 2/20 | 0.34 |
| ▸ | JAK1 | P23458 | 2/20 | 0.34 |
| ▸ | TYK2 | P29597 | 1/20 | 0.34 |
| ▸ | IRAK4 | Q9NWZ3 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.34 |
| ▸ | MAPK9 | P45984 | 1/20 | 0.34 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.34 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.34 |
| ▸ | CCR5 | P51681 | 2/20 | 0.33 |
| ▸ | NNMT | P40261 | 1/20 | 0.33 |
| ▸ | PARP1 | P09874 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL2713874 | 0.75 | ALDH1A1 (0.40) | CASP1JAK3JAK2JAK1TYK2 | |
| SCHEMBL3718972 | 0.73 | CYP3A4 (0.43) | CYP3A4SYKCCR5TGFBR1 | |
| SCHEMBL2713612 | 0.71 | MAPK10 (0.55) | SYKMAPK8MAPK9 | |
| SCHEMBL3722179 | 0.71 | SMN1; SMN2 (0.42) | SYKALDH1A1 | |
| SCHEMBL2497244 | 0.70 | RPS6KB1 (0.49) | JAK3JAK2JAK1TYK2IRAK4 | |
| SCHEMBL913751 | 0.69 | MKNK1 (0.44) | SYK | |
| SCHEMBL3713598 | 0.69 | MEN1 (0.36) | OPRM1OPRD1CYP3A4SYKJAK3 | |
| SCHEMBL19971151 | 0.69 | CYP3A4 (0.35) | CYP3A4KCNH2CCR5 | |
| SCHEMBL2480282 | 0.67 | JAK3 (0.67) | JAK3JAK2JAK1TYK2IRAK4 | |
| SCHEMBL21596400 | 0.66 | JAK3 (0.55) | SYKJAK3JAK2JAK1TYK2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2635557-A2 | NICOTINAMIDES AS JAK KINASE MODULATORS | Portola Pharmaceuticals, Inc. (US) | 2013-09-11 | — | — | EP | disclosed |
| WO-2012061428-A2 | NICOTINAMIDES AS JAK KINASE MODULATORS | PORTOLA PHARMACEUTICALS, INC. (US) | 2012-05-10 | — | — | WO | disclosed |