Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | CCR6 | P51684 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 4/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | LMNA | P02545 | 2/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
| ▸ | THRB | P10828 | 1/20 | 0.37 |
| ▸ | ATM | Q13315 | 1/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
| ▸ | MGMT | P16455 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL9761277 | 0.79 | CYP1A2 (0.37) | CYP1A2CYP2C9ALDH1A1MAPTCYP3A4 | |
| SCHEMBL9761185 | 0.73 | L3MBTL1 (0.40) | CYP1A2CYP2C9ALDH1A1POLBCCR6 | |
| SCHEMBL9762406 | 0.68 | ALDH1A1 (0.30) | ALDH1A1HPGD | |
| SCHEMBL9762562 | 0.67 | ALDH1A1 (0.38) | CYP1A2CYP2C9ALDH1A1POLBMAPT | |
| SCHEMBL14824524 | 0.65 | RAB9A (0.50) | CYP1A2CYP2C9ALDH1A1POLBCCR6 | |
| SCHEMBL1123936 | 0.64 | ALDH1A1 (0.63) | CYP1A2CYP2C9ALDH1A1MAPTCYP3A4 | |
| SCHEMBL9761837 | 0.64 | CYP1A2 (0.43) | CYP1A2CYP2C9ALDH1A1MAPTKMT2A | |
| SCHEMBL9762505 | 0.64 | KMT2A (0.44) | CYP1A2CYP2C9ALDH1A1MAPTCYP2C19 | |
| SCHEMBL3399397 | 0.63 | ALDH1A1 (0.50) | CYP1A2CYP2C9ALDH1A1MAPTCYP3A4 | |
| SCHEMBL9762473 | 0.63 | KMT2A (0.44) | CYP1A2CYP2C9POLBMAPTCYP2C19 |
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-5026694-A | Antitumor agents | THE BRITISH COLUMBIA CANCER FOUNDATION (CA) | 1991-06-25 | — | — | US | disclosed |