Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MCL1 | Q07820 | 5/20 | 1.00 |
| ▸ | ALDH1A1 | P00352 | 9/20 | 0.72 |
| ▸ | HPGD | P15428 | 8/20 | 0.72 |
| ▸ | KDM4E | B2RXH2 | 8/20 | 0.72 |
| ▸ | HSD17B10 | Q99714 | 7/20 | 0.72 |
| ▸ | AKR1B1 | P15121 | 2/20 | 0.72 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.72 |
| ▸ | THRB | P10828 | 1/20 | 0.72 |
| ▸ | CASP1 | P29466 | 6/20 | 0.63 |
| ▸ | CASP7 | P55210 | 6/20 | 0.63 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.63 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.63 |
| ▸ | HTT | P42858 | 1/20 | 0.60 |
| ▸ | NCOA3 | Q9Y6Q9 | 1/20 | 0.60 |
| ▸ | GLA | P06280 | 4/20 | 0.57 |
| ▸ | GAA | P10253 | 4/20 | 0.57 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.57 |
| ▸ | POLB | P06746 | 2/20 | 0.57 |
| ▸ | MAPT | P10636 | 2/20 | 0.56 |
| ▸ | TSHR | P16473 | 1/20 | 0.56 |
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 | |
|---|---|---|---|---|
| SCHEMBL11442137 | 0.84 | MCL1 (0.72) | MCL1ALDH1A1HPGDKDM4EHSD17B10 | |
| SCHEMBL28061597 | 0.84 | MCL1 (0.72) | MCL1ALDH1A1HPGDKDM4EHSD17B10 | |
| SCHEMBL8402004 | 0.84 | MCL1 (0.72) | MCL1ALDH1A1HPGDKDM4EHSD17B10 | |
| SCHEMBL8359452 | 0.84 | MCL1 (0.72) | MCL1ALDH1A1HPGDKDM4EHSD17B10 | |
| 4-Methylesculetin SCHEMBL29361762 | 0.84 | MCL1 (1.00) | MCL1ALDH1A1HPGDKDM4EHSD17B10 | |
| 4-Methylesculetin SCHEMBL409482 | 0.84 | MCL1 (1.00) | MCL1ALDH1A1HPGDKDM4EHSD17B10 | |
| SCHEMBL8593868 | 0.83 | MCL1 (0.71) | MCL1ALDH1A1HPGDKDM4EHSD17B10 | |
| SCHEMBL24865598 | 0.82 | ALDH1A1 (0.82) | MCL1ALDH1A1HPGDKDM4EHSD17B10 | |
| 4-Methylesculetin SCHEMBL6839210 | 0.82 | MCL1 (0.96) | MCL1ALDH1A1HPGDKDM4EHSD17B10 | |
| 4-Methylesculetin SCHEMBL27453331 | 0.82 | ALDH1A1 (0.96) | MCL1ALDH1A1HPGDKDM4EHSD17B10 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5968940-A | CONTAINING A PURINE DERIVATIVE; ANTICARCINOGENIC AGENTS | INSTITUTE OF MATERIA MEDICA (CN) | 1999-10-19 | — | — | US | disclosed |
| CN-1187193-A | Retinoids and method of use of same | INST MATERIA MEDICA (CN) | 1998-07-08 | — | — | CN | disclosed |
| EP-0850233-A1 | RETINOIDS AND METHODS OF USE OF SAME | THE INSTITUTE OF MATERIA MEDICA OF CHINESE ACADEMY OF MEDICAL SCIENCES (CN) | 1998-07-01 | — | — | EP | disclosed |
| US-5716982-A | COUMARIN COMPOUNDS | INSTITUTE OF MATERIA MEDICA, AN INSTITUTE OF THE CHINESE ACADEMY OF MEDICAL SCIENCES (CN) | 1998-02-10 | — | — | US | disclosed |
| WO-1996040669-A1 | RETINOIDS AND METHODS OF USE OF SAME | INSTITUTE OF MATERIA MEDICA, an Institute of the C (CN) | 1996-12-19 | — | — | WO | disclosed |