Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 3/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.42 |
| ▸ | NPC1 | O15118 | 3/20 | 0.41 |
| ▸ | RAB9A | P51151 | 3/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.41 |
| ▸ | FFAR1 | O14842 | 2/20 | 0.39 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.38 |
| ▸ | EHMT2 | Q96KQ7 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 4/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.38 |
| ▸ | HTT | P42858 | 2/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | PLA2G1B | P04054 | 1/20 | 0.38 |
| ▸ | ATG4B | Q9Y4P1 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.37 |
| ▸ | TP53 | P04637 | 2/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL5593834 | 0.88 | FFAR1 (0.38) | CYP1A2CYP3A4NPC1RAB9AFFAR1 | |
| SCHEMBL27578567 | 0.86 | FFAR1 (0.41) | CYP1A2CYP3A4NPC1RAB9ACYP2C19 | |
| SCHEMBL12430971 | 0.85 | RET (0.48) | CYP1A2CYP3A4CYP2C19HTTHSD17B10 | |
| SCHEMBL27578751 | 0.83 | PDE10A (0.40) | CYP1A2CYP3A4NPC1RAB9ACYP2C19 | |
| SCHEMBL12430970 | 0.79 | MAPT (0.44) | NPC1RAB9AFFAR1MAPTKDM4E | |
| SCHEMBL2204725 | 0.79 | FFAR1 (0.36) | NPC1RAB9AFFAR1MAPTALDH1A1 | |
| SCHEMBL2205769 | 0.78 | RAB9A (0.43) | CYP1A2CYP3A4NPC1RAB9ACYP2C19 | |
| SCHEMBL2203390 | 0.78 | NPC1 (0.46) | CYP1A2CYP3A4NPC1RAB9ACYP2C19 | |
| SCHEMBL2207676 | 0.76 | BCHE (0.35) | HRH4MAPTHTTHPGDSMN1; SMN2 | |
| SCHEMBL2205389 | 0.76 | NPC1 (0.42) | CYP1A2CYP3A4NPC1RAB9ACYP2C19 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-100436452-C | Pyrazole compounds useful as protein kinase inhibitors | VERTEX PHARMACEUTICALS INCORP (US) | 2008-11-26 | — | — | CN | claimed |
| EP-1355905-B1 | PYRAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS | VERTEX PHARMA (US) | 2007-02-21 | — | — | EP | claimed |
| CN-1487933-A | Pyrazole compounds useful as protein kinase inhibitors | ��̩��˹ҩ��ɷ�����˾ | 2004-04-07 | — | — | CN | claimed |
| CN-112755193-A | Method of treating malignancies with anti-tyrosine kinase inhibitors using dianhydrogalactitol or a derivative thereof | 德玛医药 | 2021-05-07 | — | — | CN | disclosed |