Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.45 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.45 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.45 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.45 |
| ▸ | CNR2 | P34972 | 1/20 | 0.45 |
| ▸ | RAC1 | P63000 | 2/20 | 0.44 |
| ▸ | ERN1 | O75460 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.42 |
| ▸ | HPGD | P15428 | 3/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.42 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.42 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.42 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.42 |
| ▸ | CRHR1 | P34998 | 2/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL7704411 | 0.86 | ENPP1 (0.52) | ALDH1A1HPGDKDM4ECRHR1MAPT | |
| SCHEMBL7697620 | 0.86 | SMN1; SMN2 (0.49) | ALDH1A1HPGDKDM4ECRHR1MAPT | |
| SCHEMBL7696145 | 0.83 | CRHR1 (0.48) | CNR2ALDH1A1HPGDKDM4ECRHR1 | |
| SCHEMBL7699156 | 0.82 | SQOR (0.47) | CYP1A2ALDH1A1HPGDKDM4ECRHR1 | |
| SCHEMBL7692125 | 0.76 | KDM4E (0.59) | ALDH1A1HPGDKDM4EMAPTLMNA | |
| SCHEMBL5428014 | 0.75 | NQO1 (0.60) | CYP1A2CYP3A4CYP2D6CYP2C9CYP11B1 | |
| SCHEMBL30239987 | 0.74 | ESR1 (0.54) | CYP1A2CYP3A4CYP2D6CYP2C9CYP11B1 | |
| SCHEMBL3606605 | 0.74 | PTPRC (0.57) | CYP1A2CNR2RAC1ERN1ALDH1A1 | |
| SCHEMBL29801747 | 0.74 | PTPRC (0.57) | CYP1A2CNR2RAC1ERN1ALDH1A1 | |
| SCHEMBL28988344 | 0.74 | ESR1 (0.54) | CYP1A2CYP3A4CYP2D6CYP2C9CYP11B1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2002026713-A1 | ANTIPARASITIC COMPOUNDS | KING'S COLLEGE LONDON (GB) | 2002-04-04 | — | — | WO | disclosed |