Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 4/20 | 0.42 |
| ▸ | CA1 | P00915 | 4/20 | 0.42 |
| ▸ | CA9 | Q16790 | 4/20 | 0.42 |
| ▸ | PREP | P48147 | 3/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.33 |
| ▸ | ERN1 | O75460 | 1/20 | 0.33 |
| ▸ | TRIM24 | O15164 | 1/20 | 0.33 |
| ▸ | TYR | P14679 | 1/20 | 0.33 |
| ▸ | TRIM33 | Q9UPN9 | 1/20 | 0.33 |
| ▸ | CYSLTR2 | Q9NS75 | 1/20 | 0.32 |
| ▸ | CYSLTR1 | Q9Y271 | 1/20 | 0.32 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.31 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.31 |
| ▸ | GAA | P10253 | 2/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.30 |
| ▸ | HPGD | P15428 | 1/20 | 0.30 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL14240879 | 0.79 | CA12 (0.48) | CA12CA1CA9PREPALDH1A1 | |
| SCHEMBL8908464 | 0.78 | CA12 (0.41) | CA12CA1CA9PREP | |
| SCHEMBL19810818 | 0.78 | ALDH1A1 (0.49) | CA12CA1CA9PREPALDH1A1 | |
| SCHEMBL22078670 | 0.78 | CA12 (0.47) | CA12CA1CA9PREPALDH1A1 | |
| SCHEMBL8907638 | 0.77 | CA12 (0.40) | CA12CA1CA9PREPHSP90AA1 | |
| SCHEMBL17494765 | 0.77 | CA12 (0.46) | CA12CA1CA9PREPALDH1A1 | |
| SCHEMBL7618394 | 0.77 | TYR (0.58) | CA12CA1CA9PREPALDH1A1 | |
| SCHEMBL2511093 | 0.77 | CA12 (0.46) | CA12CA1CA9PREPALDH1A1 | |
| SCHEMBL7428665 | 0.77 | CA12 (0.46) | CA12CA1CA9PREPALDH1A1 | |
| SCHEMBL1200924 | 0.76 | CA12 (0.36) | CA12CA1CA9PREPALDH1A1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5686478-A | Endothelin antagonists | MERCK & CO. INC. (US) | 1997-11-11 | — | — | US | disclosed |
| EP-0710235-A4 | — | — | 1996-06-12 | — | — | EP | disclosed |
| EP-0710235-A1 | ENDOTHELIN ANTAGONISTS | MERCK & CO. INC. (US) | 1996-05-08 | — | — | EP | disclosed |
| WO-1995003295-A1 | ENDOTHELIN ANTAGONISTS | MERCK & CO., INC. (US) | 1995-02-02 | — | — | WO | disclosed |