Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABCB11 | O95342 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.33 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.33 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.33 |
| ▸ | MAOA | P21397 | 1/20 | 0.33 |
| ▸ | DRD1 | P21728 | 1/20 | 0.33 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.33 |
| ▸ | HTR2B | P41595 | 1/20 | 0.33 |
| ▸ | CCR2 | P41597 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | MIF | P14174 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL17593328 | 0.80 | CYP3A4 (0.36) | ALDH1A1CYP3A4HPGDTDP1 | |
| SCHEMBL28447103 | 0.76 | ALDH1A1 (0.33) | ABCB11ALDH1A1NR3C1CYP1A2CYP3A4 | |
| SCHEMBL160878 | 0.70 | ALDH1A1 (0.52) | ABCB11ALDH1A1NR3C1CYP1A2CYP3A4 | |
| SCHEMBL30298614 | 0.70 | ALDH1A1 (0.52) | ABCB11ALDH1A1NR3C1CYP1A2CYP3A4 | |
| SCHEMBL8990792 | 0.70 | GABRA1 (0.33) | MIF | |
| SCHEMBL7848863 | 0.68 | APLNR (0.40) | ABCB11ALDH1A1NR3C1CYP1A2CYP3A4 | |
| SCHEMBL156589 | 0.67 | ALDH1A1 (0.38) | ABCB11ALDH1A1NR3C1CYP1A2CYP3A4 | |
| SCHEMBL29564714 | 0.67 | ALDH1A1 (0.38) | ABCB11ALDH1A1NR3C1CYP1A2CYP3A4 | |
| SCHEMBL11554956 | 0.65 | KIF11 (0.34) | ABCB11ALDH1A1NR3C1CYP1A2CYP3A4 | |
| SCHEMBL57893 | 0.65 | — | — |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0429558-B1 | DIPHENYLYLETHANES AND LIQUID CRYSTALLINE PHASE | MERCK PATENT GMBH (DE) | 1994-03-30 | — | — | EP | claimed |
| CN-111093658-B | Fused heteroaromatic-aniline compounds for the treatment of skin diseases | 恩福莱克逊治疗有限公司 | 2022-10-14 | — | — | CN | disclosed |
| CN-113660931-A | Arylaniline and heteroarylaniline compounds for the treatment of skin cancer | 恩福莱克逊治疗有限公司 | 2021-11-16 | — | — | CN | disclosed |
| CN-113645964-A | Arylaniline and heteroarylaniline compounds for use in fetal marker therapy | 恩福莱克逊治疗有限公司 | 2021-11-12 | — | — | CN | disclosed |
| CN-111093658-A | Fused heteroaromatic-aniline compounds for the treatment of skin diseases | 恩福莱克逊治疗有限公司 | 2020-05-01 | — | — | CN | disclosed |
| US-5496499-A | Biphenylethanes and liquid-crystalline phase | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1996-03-05 | — | — | US | disclosed |
| EP-0429558-B1 | DIPHENYLYLETHANES AND LIQUID CRYSTALLINE PHASE | MERCK PATENT GMBH (DE) | 1994-03-30 | — | — | EP | disclosed |
| EP-0429558-A1 | DIPHENYLYLETHANES AND LIQUID CRYSTALLINE PHASE. | MERCK PATENT GMBH (DE) | 1991-06-05 | — | — | EP | disclosed |
| WO-1990008757-A1 | DIPHENYLYLETHANES AND LIQUID CRYSTALLINE PHASE | MERCK Patent Gesellschaft mit beschränkter Haftung (DE) | 1990-08-09 | — | — | WO | disclosed |