Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.97 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.97 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.70 |
| ▸ | GABRA1 | P14867 | 7/20 | 0.67 |
| ▸ | GABRB2 | P47870 | 6/20 | 0.67 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.67 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.67 |
| ▸ | CYP11B1 | P15538 | 2/20 | 0.67 |
| ▸ | CYP11B2 | P19099 | 2/20 | 0.67 |
| ▸ | LMNA | P02545 | 1/20 | 0.67 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.67 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.67 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.67 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.67 |
| ▸ | GPBAR1 | Q8TDU6 | 4/20 | 0.60 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.58 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL11726722 | 0.98 | ALDH1A1 (1.00) | ALDH1A1TDP1MAPK1GABRA1GABRB2 | |
| SCHEMBL1081229 | 0.98 | ALDH1A1 (1.00) | ALDH1A1TDP1MAPK1GABRA1GABRB2 | |
| SCHEMBL1081228 | 0.98 | ALDH1A1 (1.00) | ALDH1A1TDP1MAPK1GABRA1GABRB2 | |
| Hydrochloric Acid SCHEMBL1081962 | 0.97 | ALDH1A1 (0.97) | ALDH1A1TDP1MAPK1GABRA1GABRB2 | |
| Sulfuric Acid SCHEMBL11737786 | 0.93 | ALDH1A1 (0.89) | ALDH1A1TDP1MAPK1GABRA1GABRB2 | |
| Sulfuric Acid SCHEMBL11728613 | 0.91 | ALDH1A1 (0.86) | ALDH1A1TDP1MAPK1GABRA1GABRB2 | |
| SCHEMBL24966163 | 0.88 | ALDH1A1 (0.80) | ALDH1A1TDP1MAPK1GABRA1GABRB2 | |
| SCHEMBL15125301 | 0.86 | ALDH1A1 (0.78) | ALDH1A1TDP1MAPK1GABRA1GABRB2 | |
| SCHEMBL15125303 | 0.86 | ALDH1A1 (0.78) | ALDH1A1TDP1MAPK1GABRA1GABRB2 | |
| SCHEMBL24967052 | 0.86 | ALDH1A1 (0.78) | ALDH1A1TDP1MAPK1GABRA1GABRB2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4038286-A | RACEMATES AND OPTICAL ISOMERS OF 1-(1-PHENYLETHYL)-1H-IMIDAZOLE-5-CARBOYLIC ACID DERIVATIVES | JANSSEN PHARMACEUTICA N.V. (BE) | 1977-07-26 | — | — | US | disclosed |
| US-3991072-A | Racemization of lower alkyl imidazole carboxylates | JANSSEN PHARMACEUTICA N.V. (BE) | 1976-11-09 | — | — | US | disclosed |