Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.46 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 2/20 | 0.45 |
| ▸ | LMNA | P02545 | 2/20 | 0.45 |
| ▸ | TP53 | P04637 | 1/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.45 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.45 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.45 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.45 |
| ▸ | ESR1 | P03372 | 1/20 | 0.45 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.45 |
| ▸ | PGR | P06401 | 1/20 | 0.45 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.45 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL11078515 | 0.87 | ALDH1A1 (0.45) | ALDH1A1ALOX15MAPK1HSD17B10TSHR | |
| SCHEMBL11077013 | 0.86 | CYP3A4 (0.49) | ALDH1A1ALOX15TSHRLMNATP53 | |
| Nitric Acid SCHEMBL11078322 | 0.83 | L3MBTL1 (0.53) | ALDH1A1MAPK1HSD17B10TSHRLMNA | |
| SCHEMBL11077224 | 0.80 | TBXAS1 (0.55) | ALDH1A1MAPK1HSD17B10TSHRLMNA | |
| SCHEMBL11106434 | 0.80 | ALDH1A1 (0.48) | ALDH1A1ALOX15MAPK1HSD17B10TSHR | |
| SCHEMBL11076776 | 0.80 | TBXAS1 (0.52) | ALDH1A1MAPK1HSD17B10TSHRTP53 | |
| SCHEMBL11070016 | 0.79 | ALDH1A1 (0.53) | ALDH1A1ALOX15TSHRLMNATP53 | |
| SCHEMBL11074500 | 0.79 | CYP1A2 (0.51) | ALDH1A1ALOX15TSHRLMNATP53 | |
| SCHEMBL11066290 | 0.79 | ALDH1A1 (0.59) | ALDH1A1ALOX15TSHRLMNATP53 | |
| SCHEMBL11072949 | 0.79 | TBXAS1 (0.51) | ALDH1A1MAPK1HSD17B10TSHRTP53 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0005980-B1 | DERIVATIVES OF SUBSTITUTED N-ALKYL IMIDAZOLES, THEIR PREPARATION AND THESE COMPOUNDS FOR PHARMACEUTICAL USE | SYNTEX (U.S.A.) INC. (US) | 1984-08-29 | — | — | EP | disclosed |
| US-4213991-A | BACTERICIDES, FUNGICIDES, ANTIPROTOZOA | SYNTEX (U.S.A.) INC. (US) | 1980-07-22 | — | — | US | disclosed |
| EP-0005980-A2 | Derivatives of substituted N-alkyl imidazoles, their preparation and these compounds for pharmaceutical use | SYNTEX (U.S.A.) INC. (US) | 1979-12-12 | — | — | EP | disclosed |