Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 1/20 | 0.54 |
| ▸ | CA2 | P00918 | 1/20 | 0.54 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.51 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.51 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.51 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.51 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.51 |
| ▸ | PRKAB2 | O43741 | 1/20 | 0.50 |
| ▸ | PRKAG1 | P54619 | 1/20 | 0.50 |
| ▸ | PRKAA2 | P54646 | 1/20 | 0.50 |
| ▸ | PRKAA1 | Q13131 | 1/20 | 0.50 |
| ▸ | PRKAG3 | Q9UGI9 | 1/20 | 0.50 |
| ▸ | PRKAG2 | Q9UGJ0 | 1/20 | 0.50 |
| ▸ | PRKAB1 | Q9Y478 | 1/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.48 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 2/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL30877906 | 1.00 | CA1 (0.54) | CA1CA2CYP2C9CYP1A2CYP2D6 | |
| SCHEMBL7569920 | 0.87 | TDP1 (0.53) | CA1CA2CYP2C9KDM4EKMT2A | |
| SCHEMBL29663210 | 0.87 | SYK (0.51) | KDM4EPRKAB2PRKAG1PRKAA2PRKAA1 | |
| SCHEMBL8155327 | 0.86 | PTGS2 (0.54) | CA1CA2KDM4EKMT2AMAPK14 | |
| SCHEMBL6701016 | 0.82 | CA1 (0.65) | CA1CA2CYP2C9CYP1A2CYP2D6 | |
| SCHEMBL29662946 | 0.80 | PGR (0.55) | KDM4EPRKAB2PRKAG1PRKAA2PRKAA1 | |
| SCHEMBL7095254 | 0.80 | PGR (0.55) | KDM4EPRKAB2PRKAG1PRKAA2PRKAA1 | |
| SCHEMBL26573338 | 0.80 | KDM4E (0.65) | CA1CA2CYP2C9CYP1A2CYP2D6 | |
| SCHEMBL28577777 | 0.80 | EGFR (0.52) | CA1CA2CYP2C9CYP1A2CYP2D6 | |
| SCHEMBL21083536 | 0.80 | EGFR (0.64) | KMT2AMAPTMEN1RAB9A |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114560790-A | Biphenyl-2-nitrile compound and preparation method thereof | 赣南师范大学 | 2022-05-31 | — | — | CN | disclosed |