Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AURKB | Q96GD4 | 10/20 | 0.37 |
| ▸ | AURKA | O14965 | 7/20 | 0.37 |
| ▸ | EGFR | P00533 | 2/20 | 0.36 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.35 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.35 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 2/20 | 0.32 |
| ▸ | RAB9A | P51151 | 2/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | ABL1 | P00519 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | PRKACA | P17612 | 1/20 | 0.32 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.31 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL28749761 | 0.86 | AURKB (0.38) | AURKBAURKAEGFRADORA3ADORA2A | |
| SCHEMBL27577294 | 0.85 | AURKB (0.40) | AURKBAURKAEGFRADORA3ADORA2A | |
| SCHEMBL27595401 | 0.83 | ADORA3 (0.50) | AURKBAURKAEGFRADORA3ADORA2A | |
| SCHEMBL2204784 | 0.78 | AURKB (0.60) | AURKBAURKAABL1ALDH1A1 | |
| SCHEMBL27595397 | 0.76 | EGFR (0.54) | AURKBAURKAEGFRALDH1A1MAPK1 | |
| SCHEMBL27598876 | 0.74 | PARP1 (0.33) | RAB9AALDH1A1POLB | |
| SCHEMBL29155667 | 0.72 | SYK (0.47) | NPC1RAB9ASMN1; SMN2ABL1ALDH1A1 | |
| SCHEMBL30702769 | 0.72 | SYK (0.47) | NPC1RAB9ASMN1; SMN2ABL1ALDH1A1 | |
| SCHEMBL27577283 | 0.72 | TSHR (0.33) | AURKBAURKAEGFRALDH1A1TSHR | |
| SCHEMBL28749235 | 0.71 | ADORA3 (0.47) | AURKBAURKAEGFRADORA3ADORA2A |
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 12 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-102250071-A | Pyrazole compounds useful as protein kinase inhibitors | VERTEX PHARMA | 2011-11-23 | — | — | CN | claimed |
| CN-1486310-A | Pyrazole compounds useful as protein kinase inhibitors | ��̩��˹ҩ��ɷ�����˾ | 2004-03-31 | — | — | CN | claimed |
| CN-102250071-A | Pyrazole compounds useful as protein kinase inhibitors | VERTEX PHARMA | 2011-11-23 | — | — | CN | disclosed |
| CN-100436452-C | Pyrazole compounds useful as protein kinase inhibitors | VERTEX PHARMACEUTICALS INCORP (US) | 2008-11-26 | — | — | CN | disclosed |
| CN-100408573-C | Pyrazole compounds useful as protein kinase inhibitors | VERTEX PHARMA (US) | 2008-08-06 | — | — | CN | disclosed |
| CN-100406454-C | Pyrazole compounds useful as protein kinase inhibitors | VERTEX PHARMA (US) | 2008-07-30 | — | — | CN | disclosed |
| CN-100340555-C | Pyrazole compounds useful as protein kinase inhibitors | VERTEX PHARMA (US) | 2007-10-03 | — | — | CN | disclosed |
| CN-1549812-A | Pyrazole compounds useful as protein kinase inhibitors | ��̩��˹ҩ��ɷ�����˾ | 2004-11-24 | — | — | CN | disclosed |
| CN-1487933-A | Pyrazole compounds useful as protein kinase inhibitors | ��̩��˹ҩ��ɷ�����˾ | 2004-04-07 | — | — | CN | disclosed |
| CN-1486312-A | Pyrazole compounds useful as protein kinase inhibitors | ��̩��˹ҩ��ɷ�����˾ | 2004-03-31 | — | — | CN | disclosed |
| CN-1486311-A | Pyrazole compounds useful as protein kinase inhibitors | ��̩��˹ҩ��ɷ�����˾ | 2004-03-31 | — | — | CN | disclosed |
| CN-1486310-A | Pyrazole compounds useful as protein kinase inhibitors | ��̩��˹ҩ��ɷ�����˾ | 2004-03-31 | — | — | CN | disclosed |