Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.63 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.63 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.61 |
| ▸ | LCK | P06239 | 1/20 | 0.49 |
| ▸ | NOS3 | P29474 | 1/20 | 0.47 |
| ▸ | NOS2 | P35228 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.46 |
| ▸ | TP53 | P04637 | 1/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | GBA1 | P04062 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | CRHBP | P24387 | 1/20 | 0.42 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.42 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.42 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.42 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.42 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL8347225 | 0.81 | TOP2A (0.49) | KDM4EKMT2AMAPK1LCKNOS3 | |
| SCHEMBL23482212 | 0.79 | GAA (0.56) | KDM4EKMT2AMAPK1LCKNOS3 | |
| SCHEMBL9077089 | 0.79 | MAPK1 (0.83) | KDM4EKMT2AMAPK1LCKNOS3 | |
| SCHEMBL12963699 | 0.77 | NOS3 (0.55) | MAPK1LCKNOS3NOS2ALDH1A1 | |
| SCHEMBL7797450 | 0.75 | NOS3 (0.53) | KDM4EKMT2AMAPK1LCKNOS3 | |
| SCHEMBL8797444 | 0.75 | NOS3 (0.48) | MAPK1LCKNOS3NOS2ALDH1A1 | |
| SCHEMBL4504096 | 0.74 | LCK (0.67) | KDM4EKMT2AMAPK1LCKNOS3 | |
| SCHEMBL30711612 | 0.74 | LCK (0.67) | KDM4EKMT2AMAPK1LCKNOS3 | |
| SCHEMBL9313985 | 0.74 | TLR8 (0.65) | KMT2AMAPK1NOS3NOS2ALDH1A1 | |
| SCHEMBL5992633 | 0.73 | KMT2A (0.53) | KDM4EKMT2AALDH1A1SMN1; SMN2GAA |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2004058761-A1 | PYRAZOLE COMPOUNDS AS INTEGRIN RECEPTOR ANTAGONISTS DERIVATIVES | PHARMACIA CORPORATION (US) | 2004-07-15 | — | — | WO | disclosed |