Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 3/20 | 0.45 |
| ▸ | CA9 | Q16790 | 3/20 | 0.45 |
| ▸ | CA1 | P00915 | 2/20 | 0.45 |
| ▸ | CA2 | P00918 | 2/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.40 |
| ▸ | METAP1 | P53582 | 1/20 | 0.40 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.39 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.39 |
| ▸ | RYR2 | Q92736 | 2/20 | 0.39 |
| ▸ | MMP1 | P03956 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
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 | 0.90 | ALDH1A1 (0.55) | CA12CA9CA1CA2ALDH1A1 | |
| Potassium Ion SCHEMBL11564230 | 0.88 | CA12 (0.42) | CA12CA9CA1CA2ALDH1A1 | |
| SCHEMBL11658335 | 0.88 | CA12 (0.42) | CA12CA9CA1CA2ALDH1A1 | |
| SCHEMBL11563846 | 0.88 | CA12 (0.42) | CA12CA9CA1CA2ALDH1A1 | |
| SCHEMBL11567247 | 0.88 | CA12 (0.42) | CA12CA9CA1CA2ALDH1A1 | |
| SCHEMBL11567084 | 0.88 | AKR1B1 (0.54) | CA12CA9CA1CA2ALDH1A1 | |
| SCHEMBL11658398 | 0.85 | CA12 (0.45) | CA12CA9CA1CA2KDM4E | |
| Piperidine SCHEMBL11566327 | 0.83 | ALDH1A1 (0.47) | CA12CA9CA1CA2ALDH1A1 | |
| SCHEMBL11564656 | 0.82 | KDM4E (0.46) | CA12CA9CA1CA2KDM4E | |
| SCHEMBL11570381 | 0.81 | AKR1B1 (0.56) | CA12CA9CA1CA2ALDH1A1 |
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 | claimed |
| US-4130654-A | ANTIINFLAMMATORY, ANALGESIC, ANTIPYRETIC, FRIBRINOLYTIC, MUSCLE RELAXANT | SYNTEX (U.S.A.) INC. (US) | 1978-12-19 | — | — | US | claimed |