Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A1 | P04798 | 9/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 9/20 | 0.38 |
| ▸ | CYP1B1 | Q16678 | 8/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.38 |
| ▸ | ABCG2 | Q9UNQ0 | 2/20 | 0.38 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.38 |
| ▸ | PRKDC | P78527 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | TP53 | P04637 | 2/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | HPGD | P15428 | 2/20 | 0.38 |
| ▸ | TSHR | P16473 | 2/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.38 |
| ▸ | PDE5A | O76074 | 1/20 | 0.38 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL7119526 | 0.84 | KDM4E (0.34) | KDM4EALDH1A1MAPTHPGDMAPK1 | |
| SCHEMBL6902665 | 0.81 | KDM4E (0.37) | KDM4EALDH1A1ADORA1CHRM2CHRM4 | |
| Hydrochloric Acid SCHEMBL6898034 | 0.81 | CYP1A1 (0.37) | CYP1A1CYP1A2CYP1B1KDM4EABCG2 | |
| SCHEMBL6898634 | 0.79 | KDM4E (0.36) | CYP1A2KDM4EALDH1A1MAPTCYP2C19 | |
| SCHEMBL6901745 | 0.72 | NQO2 (0.36) | CHRM2CHRM4CHRM5CHRM1CHRM3 | |
| SCHEMBL6903206 | 0.70 | KDM4E (0.39) | CYP1A1CYP1A2CYP1B1KDM4EALDH1A1 | |
| Hydrochloric Acid SCHEMBL6902210 | 0.69 | ALDH1A1 (0.36) | KDM4EALDH1A1TP53MAPTHPGD | |
| SCHEMBL28351952 | 0.68 | ALDH1A1 (0.35) | CYP1A1CYP1A2CYP1B1KDM4EABCG2 | |
| SCHEMBL30430245 | 0.67 | ALDH1A1 (0.49) | CYP1A1CYP1A2CYP1B1KDM4EABCG2 | |
| SCHEMBL4347437 | 0.67 | ALDH1A1 (0.49) | CYP1A1CYP1A2CYP1B1KDM4EABCG2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1033371-B1 | Transition metal compound, catalyst system, process for the preparation thereof and its use for the polymerization of olefins | BASELL POLYOLEFINE GMBH (DE) | 2004-01-28 | — | — | EP | claimed |