Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 4/20 | 0.40 |
| ▸ | CA9 | Q16790 | 4/20 | 0.40 |
| ▸ | CA1 | P00915 | 3/20 | 0.40 |
| ▸ | CA2 | P00918 | 3/20 | 0.40 |
| ▸ | PPARG | P37231 | 4/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.38 |
| ▸ | HTT | P42858 | 3/20 | 0.38 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.38 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.37 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.37 |
| ▸ | MEN1 | O00255 | 2/20 | 0.37 |
| ▸ | LMNA | P02545 | 2/20 | 0.37 |
| ▸ | MAPT | P10636 | 2/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.37 |
| ▸ | HKDC1 | Q2TB90 | 2/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | CCR6 | P51684 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL11568284 | 0.88 | AKR1B1 (0.38) | KDM4EHTTAKR1B1ALDH1A1MEN1 | |
| SCHEMBL11658398 | 0.82 | CA12 (0.45) | CA12CA9CA1CA2KDM4E | |
| SCHEMBL11566798 | 0.81 | AKR1B1 (0.52) | CA12CA9CA1CA2AKR1B1 | |
| SCHEMBL11566285 | 0.80 | ALDH1A1 (0.55) | CA12CA9CA1CA2KDM4E | |
| SCHEMBL11659849 | 0.80 | AKR1B1 (0.49) | AKR1B1MTNR1AMTNR1BALDH1A1LMNA | |
| SCHEMBL11631666 | 0.79 | CA12 (0.45) | CA12CA9CA1CA2KDM4E | |
| Potassium Ion SCHEMBL11564230 | 0.78 | CA12 (0.42) | CA12CA9CA1CA2KDM4E | |
| SCHEMBL11567247 | 0.78 | CA12 (0.42) | CA12CA9CA1CA2KDM4E | |
| SCHEMBL11658335 | 0.78 | CA12 (0.42) | CA12CA9CA1CA2KDM4E | |
| SCHEMBL11563846 | 0.78 | CA12 (0.42) | CA12CA9CA1CA2KDM4E |
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 |