Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | GRM6 | O15303 | 1/20 | 0.34 |
| ▸ | CA12 | O43570 | 1/20 | 0.33 |
| ▸ | CA1 | P00915 | 1/20 | 0.33 |
| ▸ | CA7 | P43166 | 1/20 | 0.33 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.33 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | GLA | P06280 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | THRB | P10828 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | CFTR | P13569 | 1/20 | 0.32 |
| ▸ | CTSK | P43235 | 4/20 | 0.32 |
| ▸ | CTSS | P25774 | 2/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL28400217 | 0.79 | NPSR1 (0.38) | ALDH1A1HSD17B10CYP2C19CYP1A2CYP2D6 | |
| SCHEMBL27829294 | 0.74 | GRM6 (0.34) | ALDH1A1HSD17B10CYP2C19CYP1A2CYP2D6 | |
| SCHEMBL27829334 | 0.73 | CTSK (0.37) | CYP2C19CYP1A2CYP2D6CA12CA1 | |
| SCHEMBL28735248 | 0.73 | RIPK1 (0.32) | — | |
| SCHEMBL1919827 | 0.73 | CYP2C19 (0.43) | CYP2C19CYP1A2CYP2D6CA12CA1 | |
| SCHEMBL28787488 | 0.71 | KDM4E (0.43) | ALDH1A1HSD17B10CYP2C19KDM4EGAA | |
| SCHEMBL18321204 | 0.71 | CYP2C19 (0.44) | ALDH1A1HSD17B10CYP2C19CYP1A2CYP2D6 | |
| SCHEMBL27525893 | 0.71 | DGAT1 (0.41) | ALDH1A1HSD17B10CYP1A2CYP2D6GRM6 | |
| SCHEMBL27785696 | 0.70 | CYP1A2 (0.49) | ALDH1A1HSD17B10CYP2C19CYP1A2CYP2D6 | |
| SCHEMBL11826564 | 0.70 | GAA (0.39) | ALDH1A1HSD17B10CYP1A2CYP2D6HIF1A |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0119705-B1 | OCTAPEPTIDE VASOPRESSIN ANTAGONISTS | SMITHKLINE BECKMAN CORPORATION (US) | 1989-09-06 | — | — | EP | disclosed |
| US-4684622-A | CYCLIC OLIGOPEPTIDES, DISULFIDE LINKAGE | SMITHKLINE BECKMAN CORPORATION (US) | 1987-08-04 | — | — | US | disclosed |
| US-4599324-A | VASODILATORS | SMITHKLINE BECKMAN CORPORATION (US) | 1986-07-08 | — | — | US | disclosed |
| EP-0182626-A2 | V1-vasopressin antagonists | SMITHKLINE BECKMAN CORPORATION (US) | 1986-05-28 | — | — | EP | disclosed |
| US-4587045-A | Intermediates for preparing octapeptide vasopressin antagonists | SMITHKLINE BECKMAN CORPORATION (US) | 1986-05-06 | — | — | US | disclosed |
| US-4542124-A | Octapeptide vasopressin antagonists | SMITHKLINE BECKMAN CORPORATION (US) | 1985-09-17 | — | — | US | disclosed |
| EP-0119705-A2 | Octapeptide vasopressin antagonists | SMITHKLINE BECKMAN CORPORATION (US) | 1984-09-26 | — | — | EP | disclosed |
| US-4469679-A | DIURETICS | SMITHKLINE BECKMAN CORPORATION (US) | 1984-09-04 | — | — | US | disclosed |