Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 2/20 | 0.50 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
| ▸ | PLG | P00747 | 3/20 | 0.44 |
| ▸ | F2 | P00734 | 1/20 | 0.44 |
| ▸ | F10 | P00742 | 1/20 | 0.44 |
| ▸ | PLAU | P00749 | 1/20 | 0.44 |
| ▸ | PLAT | P00750 | 1/20 | 0.44 |
| ▸ | TP53 | P04637 | 2/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | IDO1 | P14902 | 2/20 | 0.42 |
| ▸ | TDO2 | P48775 | 2/20 | 0.42 |
| ▸ | LMNA | P02545 | 3/20 | 0.42 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.42 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.42 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.42 |
| ▸ | HTR2B | P41595 | 1/20 | 0.42 |
| ▸ | CSNK2A1 | P68400 | 1/20 | 0.41 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL22078964 | 0.80 | TRPA1 (0.52) | TRPA1NPC1RAB9APLGF2 | |
| SCHEMBL5260076 | 0.78 | F2 (0.55) | TRPA1NPC1RAB9APLGF2 | |
| SCHEMBL1890589 | 0.78 | NPC1 (0.53) | TRPA1NPC1RAB9APLGF2 | |
| SCHEMBL30755246 | 0.78 | F2 (0.55) | TRPA1NPC1RAB9APLGF2 | |
| SCHEMBL30624604 | 0.74 | NPC1 (0.61) | NPC1RAB9ATDP1LMNACHRM1 | |
| SCHEMBL30578000 | 0.73 | NPC1 (0.56) | TRPA1NPC1RAB9APLGF2 | |
| SCHEMBL1758035 | 0.73 | NPC1 (0.56) | TRPA1NPC1RAB9APLGF2 | |
| SCHEMBL17552266 | 0.72 | ALOX15 (0.48) | NPC1RAB9ATP53TDP1CSNK2A1 | |
| SCHEMBL17089321 | 0.71 | CSNK2A1 (0.57) | TRPA1NPC1RAB9AF2F10 | |
| SCHEMBL168869 | 0.71 | CSNK2A1 (0.69) | TRPA1NPC1RAB9ATDP1CSNK2A1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-106518856-A | Pyrazine derivatives useful as inhibitors of ATR kinase | 沃泰克斯药物股份有限公司 | 2017-03-22 | — | — | CN | disclosed |
| CN-106496209-A | It is used as the compound of ATR kinase inhibitors | 沃泰克斯药物股份有限公司 | 2017-03-15 | — | — | CN | disclosed |
| CN-106496210-A | It is used as the compound of ATR kinase inhibitors | 沃泰克斯药物股份有限公司 | 2017-03-15 | — | — | CN | disclosed |