Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | JAK3 | P52333 | 3/20 | 0.38 |
| ▸ | IRAK4 | Q9NWZ3 | 2/20 | 0.38 |
| ▸ | JAK2 | O60674 | 1/20 | 0.38 |
| ▸ | JAK1 | P23458 | 1/20 | 0.38 |
| ▸ | TYK2 | P29597 | 1/20 | 0.38 |
| ▸ | NNMT | P40261 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 2/20 | 0.36 |
| ▸ | DHFR | P00374 | 1/20 | 0.36 |
| ▸ | GLA | P06280 | 1/20 | 0.36 |
| ▸ | DPP4 | P27487 | 1/20 | 0.36 |
| ▸ | DPP8 | Q6V1X1 | 1/20 | 0.36 |
| ▸ | CASP1 | P29466 | 1/20 | 0.36 |
| ▸ | PARP1 | P09874 | 1/20 | 0.36 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.35 |
| ▸ | STAT6 | P42226 | 1/20 | 0.35 |
| ▸ | CRHR1 | P34998 | 1/20 | 0.35 |
| ▸ | CSF1R | P07333 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL3714880 | 0.78 | CRHR1 (0.39) | ALDH1A1SMN1; SMN2TP53TSHRDHFR | |
| SCHEMBL7259310 | 0.77 | ALDH1A1 (0.44) | ALDH1A1SMN1; SMN2TP53TSHRDHFR | |
| SCHEMBL2497244 | 0.76 | RPS6KB1 (0.49) | ALDH1A1SMN1; SMN2JAK3IRAK4JAK2 | |
| SCHEMBL2713930 | 0.75 | OPRM1 (0.39) | ALDH1A1JAK3IRAK4JAK2JAK1 | |
| SCHEMBL3714460 | 0.73 | JAK3 (0.52) | JAK3IRAK4JAK2JAK1TYK2 | |
| SCHEMBL913751 | 0.73 | MKNK1 (0.44) | PDE4BCSF1R | |
| SCHEMBL15054551 | 0.71 | RPS6KB1 (0.52) | ALDH1A1PARP1 | |
| SCHEMBL2480282 | 0.70 | JAK3 (0.67) | JAK3IRAK4JAK2JAK1TYK2 | |
| SCHEMBL10839348 | 0.70 | CDC7 (0.39) | ALDH1A1TSHRPARP1 | |
| SCHEMBL12280052 | 0.69 | JAK3 (0.44) | JAK3IRAK4JAK2JAK1TYK2 |
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 |