Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NQO2 | P16083 | 1/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | SETDB1 | Q15047 | 3/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | AOC2 | O75106 | 2/20 | 0.36 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.35 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.35 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.35 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.34 |
| ▸ | MEN1 | O00255 | 2/20 | 0.34 |
| ▸ | MAPT | P10636 | 2/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | RECQL | P46063 | 1/20 | 0.34 |
| ▸ | BLM | P54132 | 1/20 | 0.34 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL8705215 | 0.96 | NQO2 (0.45) | NQO2CYP1A2CYP3A4CYP2C19CYP2C9 | |
| SCHEMBL8699878 | 0.84 | AOC2 (0.40) | CYP1A2CYP3A4CYP2C19CYP2C9ALDH1A1 | |
| SCHEMBL8707021 | 0.81 | AOC2 (0.36) | CYP1A2CYP3A4CYP2C19ALDH1A1SMN1; SMN2 | |
| SCHEMBL8700249 | 0.81 | PLK1 (0.37) | CYP1A2CYP3A4CYP2C19ALDH1A1SMN1; SMN2 | |
| Hydrochloric Acid SCHEMBL8703965 | 0.81 | SPHK1 (0.38) | CYP1A2CYP3A4CYP2C19ALDH1A1SMN1; SMN2 | |
| Guanidine SCHEMBL8705211 | 0.80 | CYP1A2 (0.40) | NQO2CYP1A2CYP3A4CYP2C19CYP2C9 | |
| SCHEMBL7816932 | 0.80 | CYP1A2 (0.43) | CYP1A2CYP3A4CYP2C19CYP2C9SETDB1 | |
| SCHEMBL7825259 | 0.79 | CYP1A2 (0.47) | NQO2CYP1A2CYP3A4CYP2C19CYP2C9 | |
| SCHEMBL8705218 | 0.79 | CYP1A2 (0.37) | NQO2CYP1A2CYP3A4CYP2C19CYP2C9 | |
| SCHEMBL8703469 | 0.79 | LMNA (0.40) | CYP1A2CYP3A4CYP2C19CYP2C9ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| US-5824691-A | CARDIOVASCULAR, CEREBROVASCULAR, RENAL DISEASES; SHOCK, ARTERIOSCLEROSIS | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 1998-10-20 | — | — | US | disclosed |