Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.44 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.44 |
| ▸ | TSHR | P16473 | 2/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | GALR2 | O43603 | 6/20 | 0.39 |
| ▸ | ABCG2 | Q9UNQ0 | 2/20 | 0.39 |
| ▸ | GALR1 | P47211 | 3/20 | 0.38 |
| ▸ | HDAC1 | Q13547 | 3/20 | 0.37 |
| ▸ | HDAC6 | Q9UBN7 | 3/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL5484543 | 0.95 | HSD17B10 (0.48) | KDM4EHSD17B10CYP1A2CYP3A4CYP2C19 | |
| SCHEMBL5482995 | 0.80 | TSHR (0.48) | KDM4EHSD17B10CYP1A2CYP3A4CYP2C19 | |
| SCHEMBL5486944 | 0.80 | CYP11B2 (0.44) | KDM4EHSD17B10CYP1A2CYP3A4CYP2C19 | |
| SCHEMBL5477008 | 0.80 | ABL1 (0.47) | KDM4EHSD17B10CYP1A2CYP3A4CYP2C19 | |
| SCHEMBL5489633 | 0.79 | CYP11B2 (0.44) | KDM4EHSD17B10CYP1A2CYP3A4CYP2C19 | |
| SCHEMBL5484057 | 0.75 | ABCG2 (0.54) | KDM4EHSD17B10CYP1A2CYP3A4CYP2C19 | |
| SCHEMBL5484062 | 0.74 | ABCG2 (0.59) | CYP1A2CYP3A4CYP2C19CYP2C9TSHR | |
| SCHEMBL14493019 | 0.73 | ABCG2 (0.47) | KDM4EHSD17B10CYP1A2CYP3A4CYP2C19 | |
| Hydrochloric Acid SCHEMBL5482581 | 0.72 | ABCG2 (0.47) | KDM4EHSD17B10CYP1A2CYP3A4CYP2C19 | |
| SCHEMBL5485895 | 0.72 | KMT2A (0.45) | KDM4EHSD17B10CYP1A2CYP3A4CYP2C19 |
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 |
|---|---|---|---|---|---|---|---|
| US-7226927-B2 | Substituted 2-aryl-4-arylaminopyrimidines and analogs as activators of caspases and inducers of apoptosis and the use thereof | CYTOVIA, INC. (US) | 2007-06-05 | — | — | US | disclosed |