Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.71 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.71 |
| ▸ | GAA | P10253 | 1/20 | 0.67 |
| ▸ | SRD5A2 | P31213 | 2/20 | 0.63 |
| ▸ | POLB | P06746 | 2/20 | 0.58 |
| ▸ | HSD17B13 | Q7Z5P4 | 1/20 | 0.56 |
| ▸ | CA12 | O43570 | 2/20 | 0.55 |
| ▸ | CA1 | P00915 | 2/20 | 0.55 |
| ▸ | CA2 | P00918 | 2/20 | 0.55 |
| ▸ | CA9 | Q16790 | 2/20 | 0.55 |
| ▸ | CA3 | P07451 | 1/20 | 0.55 |
| ▸ | CA6 | P23280 | 1/20 | 0.55 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.55 |
| ▸ | CA5A | P35218 | 1/20 | 0.55 |
| ▸ | CA7 | P43166 | 1/20 | 0.55 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.55 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.55 |
| ▸ | PKM | P14618 | 1/20 | 0.55 |
| ▸ | TAS2R14 | Q9NYV8 | 1/20 | 0.54 |
| ▸ | GFER | P55789 | 1/20 | 0.54 |
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 | |
|---|---|---|---|---|
| SCHEMBL5581302 | 0.89 | CA1 (0.67) | ALDH1A1SRD5A2POLBCA12CA1 | |
| SCHEMBL22349 | 0.89 | CA1 (0.67) | ALDH1A1SRD5A2POLBCA12CA1 | |
| SCHEMBL2917437 | 0.89 | CA1 (0.67) | ALDH1A1SRD5A2POLBCA12CA1 | |
| SCHEMBL9134718 | 0.87 | CA1 (0.64) | ALDH1A1SRD5A2POLBCA12CA1 | |
| SCHEMBL9131940 | 0.87 | CA1 (0.64) | ALDH1A1SRD5A2POLBCA12CA1 | |
| SCHEMBL9134104 | 0.87 | CA1 (0.64) | ALDH1A1SRD5A2POLBCA12CA1 | |
| Hydrochloric Acid SCHEMBL1338222 | 0.87 | CA1 (0.64) | ALDH1A1SRD5A2POLBCA12CA1 | |
| SCHEMBL15329084 | 0.87 | CA1 (0.64) | ALDH1A1SRD5A2POLBCA12CA1 | |
| SCHEMBL9132774 | 0.87 | CA1 (0.64) | ALDH1A1SRD5A2POLBCA12CA1 | |
| SCHEMBL9133891 | 0.87 | CA1 (0.64) | ALDH1A1SRD5A2POLBCA12CA1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0805813-B1 | TRICYCLIC VASOPRESSIN ANTAGONISTS | AMERICAN CYANAMID CO (US) | 2002-05-15 | — | — | EP | disclosed |
| US-5780471-A | Tricyclic benzazepine vasopressin antagonists | AMERICAN CYANAMID COMPANY (US) | 1998-07-14 | — | — | US | disclosed |
| WO-1996022292-A1 | TRICYCLIC VASOPRESSIN ANTAGONISTS | AMERICAN CYANAMID COMPANY (US) | 1996-07-25 | — | — | WO | disclosed |
| US-5521173-A | TREATING DISEASES CHARACTERIZED BY EXCESS RENAL REABSORPTION OF WATER | AMERICAN HOME PRODUCTS CORPORATION (US) | 1996-05-28 | — | — | US | disclosed |