Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.52 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.52 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.52 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.52 |
| ▸ | MAOA | P21397 | 1/20 | 0.52 |
| ▸ | HTR2C | P28335 | 1/20 | 0.52 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.52 |
| ▸ | ALDH1A2 | O94788 | 2/20 | 0.43 |
| ▸ | ALDH2 | P05091 | 2/20 | 0.43 |
| ▸ | ALDH1B1 | P30837 | 2/20 | 0.43 |
| ▸ | ALDH1A3 | P47895 | 2/20 | 0.43 |
| ▸ | SRC | P12931 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 2/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | TNF | P01375 | 1/20 | 0.41 |
| ▸ | NOD2 | Q9HC29 | 1/20 | 0.41 |
| ▸ | NOD1 | Q9Y239 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL7632180 | 0.87 | ALDH1A1 (0.51) | ALDH1A1KDM4EMAPK1CYP1A2CYP3A4 | |
| SCHEMBL756454 | 0.84 | ALDH1A1 (0.54) | ALDH1A1KDM4EMAPK1CYP1A2CYP3A4 | |
| SCHEMBL7989481 | 0.84 | KDM4E (0.54) | ALDH1A1KDM4EMAPK1CYP1A2CYP3A4 | |
| SCHEMBL10588182 | 0.84 | ALDH1A1 (0.54) | ALDH1A1KDM4EMAPK1CYP1A2CYP3A4 | |
| Hydrochloric Acid SCHEMBL6991180 | 0.83 | ALDH1A1 (0.52) | ALDH1A1KDM4EMAPK1CYP1A2CYP3A4 | |
| SCHEMBL5011938 | 0.81 | ALDH1A1 (0.65) | ALDH1A1KDM4EMAPK1CYP1A2CYP3A4 | |
| SCHEMBL8504877 | 0.79 | KDM4E (0.46) | ALDH1A1KDM4EMAPK1CYP1A2CYP3A4 | |
| SCHEMBL6991692 | 0.77 | MAPK1 (0.46) | ALDH1A1KDM4EMAPK1CYP1A2CYP3A4 | |
| SCHEMBL499204 | 0.76 | ALDH1A1 (0.58) | ALDH1A1KDM4EMAPK1CYP1A2CYP3A4 | |
| SCHEMBL16872346 | 0.76 | MAPK1 (0.58) | ALDH1A1KDM4EMAPK1CYP1A2CYP3A4 |
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-4260630-A | PSORIASIS, 3-CARBOXY OR CYANO-SUBSTITUTED PSORALEN DERIVATIVE WITH UV RADIATION | AGENCE NATIONALE DE VALORISATION DE LA RECHERCHE (ANVAR) (FR) | 1981-04-07 | — | — | US | disclosed |