Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | NQO2 | P16083 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | CDYL | Q9Y232 | 1/20 | 0.39 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.39 |
| ▸ | SLC18A2 | Q05940 | 1/20 | 0.38 |
| ▸ | BCHE | P06276 | 1/20 | 0.37 |
| ▸ | CNR2 | P34972 | 1/20 | 0.37 |
| ▸ | ABCB1 | P08183 | 3/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL8669907 | 0.80 | CYP1A2 (0.46) | CYP1A2CYP2D6CYP2C19NQO2TDP1 | |
| SCHEMBL22801214 | 0.74 | CNR2 (0.45) | CYP1A2CYP2D6CYP2C19NQO2KDM4E | |
| SCHEMBL17014701 | 0.72 | ALDH1A1 (0.47) | CYP1A2CYP2D6CYP2C19NQO2KDM4E | |
| SCHEMBL30487942 | 0.70 | CYP1A2 (0.50) | CYP1A2CYP2D6CYP2C19NQO2KDM4E | |
| SCHEMBL791971 | 0.70 | CYP1A2 (0.50) | CYP1A2CYP2D6CYP2C19NQO2KDM4E | |
| SCHEMBL27596064 | 0.70 | KDM4E (0.48) | CYP1A2CYP2D6CYP2C19NQO2KDM4E | |
| SCHEMBL586305 | 0.69 | CYP1A2 (0.52) | CYP1A2CYP2D6CYP2C19NQO2TDP1 | |
| SCHEMBL5655818 | 0.69 | TDP1 (0.53) | NQO2KDM4EALDH1A1TDP1CDYL | |
| SCHEMBL27366114 | 0.68 | HTR2A (0.60) | CYP1A2CYP2D6CYP2C19NQO2CDYL | |
| SCHEMBL16247718 | 0.68 | KDM4E (0.43) | CYP1A2CYP2D6CYP2C19NQO2KDM4E |
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 |
|---|---|---|---|---|---|---|---|
| EP-0405913-A2 | Hydrophobic nucleic acid probe | CHIRON CORPORATION (US) | 1991-01-02 | — | — | EP | disclosed |