Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | HPGD | P15428 | 1/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.47 |
| ▸ | CA12 | O43570 | 3/20 | 0.43 |
| ▸ | CA9 | Q16790 | 3/20 | 0.43 |
| ▸ | CA1 | P00915 | 2/20 | 0.43 |
| ▸ | CA2 | P00918 | 2/20 | 0.43 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 2/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.37 |
| ▸ | RYR2 | Q92736 | 6/20 | 0.37 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.35 |
| ▸ | EGFR | P00533 | 1/20 | 0.35 |
| ▸ | METAP1 | P53582 | 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 | |
|---|---|---|---|---|
| SCHEMBL11566285 | 0.92 | ALDH1A1 (0.55) | ALDH1A1CYP1A2HPGDCYP2C19HSD17B10 | |
| SCHEMBL11563846 | 0.84 | CA12 (0.42) | ALDH1A1CYP1A2HPGDCYP2C19HSD17B10 | |
| SCHEMBL11631666 | 0.83 | CA12 (0.45) | ALDH1A1CYP1A2HPGDCYP2C19HSD17B10 | |
| SCHEMBL11658335 | 0.82 | CA12 (0.42) | ALDH1A1CYP1A2HPGDCYP2C19HSD17B10 | |
| SCHEMBL11567247 | 0.82 | CA12 (0.42) | ALDH1A1CYP1A2HPGDCYP2C19HSD17B10 | |
| Potassium Ion SCHEMBL11564230 | 0.82 | CA12 (0.42) | ALDH1A1CYP1A2HPGDCYP2C19HSD17B10 | |
| SCHEMBL11658398 | 0.80 | CA12 (0.45) | CA12CA9CA1CA2AKR1B1 | |
| SCHEMBL11563438 | 0.78 | AKR1B1 (0.47) | ALDH1A1CYP1A2AKR1B1KDM4EMETAP1 | |
| SCHEMBL11562156 | 0.77 | AKR1B1 (0.65) | ALDH1A1CYP1A2CYP2C19AKR1B1 | |
| SCHEMBL11568863 | 0.76 | AKR1B1 (0.70) | HSD17B10CA12CA9CA1CA2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0003422-A1 | Novel 4-(8X-6,11-dihydrodibenzo-(b,e)-thiepin-11-one-3-yl)-4-oxobutyric acids, methods of preparation, compositions and uses thereof | SYNTEX (U.S.A.) INC. (US) | 1979-08-08 | — | — | EP | disclosed |
| US-4130654-A | ANTIINFLAMMATORY, ANALGESIC, ANTIPYRETIC, FRIBRINOLYTIC, MUSCLE RELAXANT | SYNTEX (U.S.A.) INC. (US) | 1978-12-19 | — | — | US | disclosed |