Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.57 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.47 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.46 |
| ▸ | RECQL | P46063 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 1/20 | 0.45 |
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.44 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL16440023 | 0.85 | TDP1 (0.62) | TDP1FFAR1ALDH1A1KEAP1KMT2A | |
| Methyl 3-Phenylpropanoate SCHEMBL28962931 | 0.85 | TDP1 (0.54) | TDP1FFAR1ALDH1A1KMT2ARECQL | |
| SCHEMBL28532192 | 0.84 | ALDH1A1 (0.45) | ALDH1A1KMT2ARECQLMAPTRAB9A | |
| SCHEMBL5692495 | 0.82 | CYP1A2 (0.45) | ALDH1A1KMT2AMEN1 | |
| SCHEMBL28004226 | 0.80 | TDP1 (0.56) | TDP1FFAR1ALDH1A1KEAP1KMT2A | |
| SCHEMBL1739439 | 0.79 | TDP1 (0.73) | TDP1FFAR1ALDH1A1KEAP1KMT2A | |
| SCHEMBL5692490 | 0.79 | KMT2A (0.52) | KMT2A | |
| SCHEMBL19094376 | 0.79 | HCAR2 (0.50) | TDP1ALDH1A1RAB9A | |
| SCHEMBL8066953 | 0.79 | HCAR2 (0.50) | TDP1ALDH1A1RAB9A | |
| SCHEMBL9074425 | 0.78 | ALDH1A1 (0.55) | TDP1FFAR1ALDH1A1KEAP1KMT2A |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2616069-A1 | ESTER PRO-DRUGS OF [3-(1-(1H-IMIDAZOL-4-YL)ETHYL)-2-METHYLPHENYL]METHANOL | Allergan, Inc. (US) | 2013-07-24 | — | — | EP | disclosed |
| EP-2616066-A1 | ESTER PRO-DRUGS OF [3-(1-(1H-IMIDAZOL-4-YL)ETHYL)-2-METHYLPHENYL]METHANOL FOR TREATING RETINAL DISEASES | Allergan, Inc. (US) | 2013-07-24 | — | — | EP | disclosed |
| EP-2616067-A1 | ESTER PRO-DRUGS OF [3-(1-(1H-IMIDAZOL-4-YL)ETHYL)-2-METHYLPHENYL]METHANOL FOR TREATING SKIN DISEASES AND CONDITIONS | Allergan, Inc. (US) | 2013-07-24 | — | — | EP | disclosed |
| WO-2012037484-A1 | ESTER PRO-DRUGS OF [3-(1-(1H-IMIDAZOL-4-YL)ETHYL)-2-METHYLPHENYL] METHANOL FOR TREATING SKIN DISEASES AND CONDITIONS | ALLERGAN, INC. (US) | 2012-03-22 | — | — | WO | disclosed |
| WO-2012037453-A1 | ESTER PRO-DRUGS OF [3-(1-(1H-IMIDAZOL-4-YL)ETHYL)-2-METHYLPHENYL] METHANOL FOR TREATING RETINAL DISEASES | ALLERGAN, INC. (US) | 2012-03-22 | — | — | WO | disclosed |
| WO-2012037499-A1 | ESTER PRO-DRUGS OF [3-(1-(1H-IMIDAZOL-4-YL)ETHYL)-2-METHYLPHENYL] METHANOL | ALLERGAN, INC. (US) | 2012-03-22 | — | — | WO | disclosed |