Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
| ▸ | ALOX5AP | P20292 | 4/20 | 0.42 |
| ▸ | FEN1 | P39748 | 4/20 | 0.42 |
| ▸ | NSD2 | O96028 | 2/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | DDR1 | Q08345 | 2/20 | 0.38 |
| ▸ | MEP1B | Q16820 | 1/20 | 0.37 |
| ▸ | USP2 | O75604 | 1/20 | 0.37 |
| ▸ | PTGS2 | P35354 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL8032787 | 0.88 | ALDH1A1 (0.42) | ALDH1A1CYP3A4CYP2C9MAPK1ALOX5AP | |
| SCHEMBL8034994 | 0.84 | TSHR (0.43) | ALDH1A1CYP3A4CYP2C9MAPK1SMN1; SMN2 | |
| SCHEMBL22056609 | 0.80 | NSD2 (0.35) | ALDH1A1ALOX5APFEN1NSD2SMN1; SMN2 | |
| SCHEMBL24429412 | 0.78 | CCR2 (0.50) | ALDH1A1CYP3A4CYP2C9MAPK1ALOX5AP | |
| SCHEMBL8032796 | 0.78 | DDR1 (0.47) | DDR1PTGS2 | |
| SCHEMBL31356938 | 0.78 | CYP2D6 (0.46) | ALDH1A1KMT2AKDM4EMAPTDDR1 | |
| SCHEMBL4436410 | 0.78 | CYP2D6 (0.46) | ALDH1A1KMT2AKDM4EMAPTDDR1 | |
| SCHEMBL8023235 | 0.77 | MCL1 (0.51) | ALDH1A1CYP3A4CYP2C9MAPK1ALOX5AP | |
| SCHEMBL20630724 | 0.76 | ALOX5AP (0.34) | ALDH1A1MAPK1ALOX5APFEN1NSD2 | |
| SCHEMBL2929280 | 0.76 | ALDH1A1 (0.45) | ALDH1A1CYP3A4CYP2C9MAPK1ALOX5AP |
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-2000066562-A1 | PYRAZOLES HAVING ANTIINFLAMMATORY ACTIVITY | DR. REDDY'S RESEARCH FOUNDATION (IN) | 2000-11-09 | — | — | WO | disclosed |