Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PLK1 | P53350 | 1/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.47 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.47 |
| ▸ | AKR1C3 | P42330 | 3/20 | 0.46 |
| ▸ | NR4A1 | P22736 | 1/20 | 0.46 |
| ▸ | NPC1 | O15118 | 4/20 | 0.44 |
| ▸ | RAB9A | P51151 | 3/20 | 0.44 |
| ▸ | GAA | P10253 | 2/20 | 0.43 |
| ▸ | CDC25B | P30305 | 1/20 | 0.43 |
| ▸ | ATM | Q13315 | 1/20 | 0.43 |
| ▸ | CNR1 | P21554 | 1/20 | 0.43 |
| ▸ | CNR2 | P34972 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 2/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL8173743 | 0.87 | ALDH1A1 (0.43) | PLK1ALDH1A1CYP1A2CYP3A4CYP2C9 | |
| SCHEMBL5314074 | 0.84 | AKR1C3 (0.66) | PLK1ALDH1A1CYP1A2CYP3A4CYP2C9 | |
| SCHEMBL14648743 | 0.84 | ALDH1A1 (0.50) | PLK1ALDH1A1CYP1A2CYP3A4CYP2C9 | |
| Benzene SCHEMBL28564703 | 0.84 | AKR1C3 (0.66) | PLK1ALDH1A1CYP1A2CYP3A4CYP2C9 | |
| SCHEMBL9712617 | 0.84 | PLK1 (0.54) | PLK1ALDH1A1CNR2 | |
| SCHEMBL28687869 | 0.83 | AKR1C3 (0.64) | PLK1ALDH1A1CYP1A2CYP3A4CYP2C9 | |
| SCHEMBL11613215 | 0.82 | ALDH1A1 (0.52) | PLK1ALDH1A1NPSR1L3MBTL1AKR1C3 | |
| SCHEMBL9712442 | 0.82 | CNR2 (0.50) | ALDH1A1CYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL4354691 | 0.82 | THRA (0.56) | PLK1ALDH1A1MAPTKMT2AMEN1 | |
| SCHEMBL29157437 | 0.81 | PLK1 (0.47) | PLK1ALDH1A1CYP1A2CYP3A4CYP2C9 |
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 |
|---|---|---|---|---|---|---|---|
| US-5117057-A | Insecticidal N' substituted-N-N'-disubstituted-hydrazines | ROHM AND HAAS COMPANY (US) | 1992-05-26 | — | — | US | disclosed |
| US-4312811-A | DEHYDROCHLORINATION OF ORTHO-BENZOYLBENZOIC ACID CHLORIDE | INTEROX (SOCIETE ANONYME) (BE) | 1982-01-26 | — | — | US | disclosed |