Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.36 |
| ▸ | STK17A | Q9UEE5 | 4/20 | 0.35 |
| ▸ | STK17B | O94768 | 2/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.34 |
| ▸ | MEN1 | O00255 | 2/20 | 0.34 |
| ▸ | JUN | P05412 | 1/20 | 0.34 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.34 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.34 |
| ▸ | RELA | Q04206 | 1/20 | 0.34 |
| ▸ | DHFR | P00374 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | USP2 | O75604 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL30519922 | 0.78 | JUN (0.39) | TDP1KCNH2STK17ASTK17BKMT2A | |
| SCHEMBL29038093 | 0.78 | JUN (0.39) | TDP1KCNH2STK17ASTK17BKMT2A | |
| SCHEMBL8995833 | 0.76 | TDP1 (0.38) | TDP1L3MBTL1KCNH2STK17AKMT2A | |
| SCHEMBL791580 | 0.74 | KCNH2 (0.36) | TDP1L3MBTL1KCNH2KMT2AMEN1 | |
| SCHEMBL11485780 | 0.73 | GCGR (0.43) | KCNH2KMT2AMEN1DHFRKDM4E | |
| SCHEMBL2249764 | 0.72 | RARB (0.46) | TDP1L3MBTL1KCNH2KMT2AMEN1 | |
| SCHEMBL12539378 | 0.72 | KMT2A (0.43) | TDP1L3MBTL1KCNH2KMT2AMEN1 | |
| SCHEMBL30042167 | 0.71 | TLR8 (0.46) | — | |
| SCHEMBL4478012 | 0.71 | RARB (0.49) | TDP1L3MBTL1KCNH2KMT2AMEN1 | |
| SCHEMBL7474682 | 0.71 | RARB (0.49) | TDP1L3MBTL1KCNH2KMT2AMEN1 |
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-1317450-A1 | PYRAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS | Vertex Pharmaceuticals Incorporated (US) | 2003-06-11 | — | — | EP | disclosed |
| WO-2002022604-A1 | PYRAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2002-03-21 | — | — | WO | disclosed |