Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.42 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.42 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.42 |
| ▸ | CPS1 | P31327 | 4/20 | 0.40 |
| ▸ | CA12 | O43570 | 2/20 | 0.39 |
| ▸ | CA1 | P00915 | 2/20 | 0.39 |
| ▸ | CA2 | P00918 | 2/20 | 0.39 |
| ▸ | CA7 | P43166 | 2/20 | 0.39 |
| ▸ | CA9 | Q16790 | 2/20 | 0.39 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.39 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.38 |
| ▸ | AMY1A | P0DUB6 | 2/20 | 0.37 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL31737526 | 0.78 | GAA (0.41) | CYP1A2CA12CA1CA2CA7 | |
| SCHEMBL1022299 | 0.78 | GAA (0.41) | CYP1A2CA12CA1CA2CA7 | |
| SCHEMBL30792548 | 0.78 | CA12 (0.56) | CYP1A2CYP1A1CYP1B1CA12CA1 | |
| SCHEMBL1416677 | 0.78 | CA12 (0.56) | CYP1A2CYP1A1CYP1B1CA12CA1 | |
| SCHEMBL7110303 | 0.76 | CA12 (0.39) | CYP1A2CA12CA1CA2CA7 | |
| SCHEMBL3016274 | 0.73 | CA12 (0.56) | CYP1A2CYP1A1CYP1B1CA12CA1 | |
| SCHEMBL254529 | 0.73 | CA12 (0.50) | CYP1A2CYP1A1CYP1B1CPS1CA12 | |
| SCHEMBL29513208 | 0.73 | CA12 (0.50) | CYP1A2CYP1A1CYP1B1CPS1CA12 | |
| SCHEMBL21950835 | 0.73 | CRHR1 (0.38) | CYP1A2CYP1A1CYP1B1CA12CA1 | |
| SCHEMBL9510482 | 0.73 | KDM1A (0.43) | CYP1A2CYP1A1CYP1B1CPS1TAAR1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0272115-B1 | OPTICALLY ACTIVE LIQUID CRYSTALLINE BIPHENYL COMPOUND | Chisso Corporation (JP) | 1993-10-13 | — | — | EP | disclosed |
| EP-0272115-A2 | Optically active liquid crystalline biphenyl compound | Chisso Corporation (JP) | 1988-06-22 | — | — | EP | disclosed |