Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 1/20 | 0.46 |
| ▸ | PNMT | P11086 | 1/20 | 0.42 |
| ▸ | CA2 | P00918 | 6/20 | 0.38 |
| ▸ | CA1 | P00915 | 5/20 | 0.38 |
| ▸ | CA9 | Q16790 | 4/20 | 0.38 |
| ▸ | CA6 | P23280 | 3/20 | 0.37 |
| ▸ | CA4 | P22748 | 2/20 | 0.37 |
| ▸ | CA12 | O43570 | 2/20 | 0.37 |
| ▸ | CA5A | P35218 | 2/20 | 0.37 |
| ▸ | CA7 | P43166 | 2/20 | 0.37 |
| ▸ | CA5B | Q9Y2D0 | 2/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.37 |
| ▸ | CDK2 | P24941 | 1/20 | 0.37 |
| ▸ | STAT3 | P40763 | 1/20 | 0.37 |
| ▸ | CES1 | P23141 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | USP2 | O75604 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | HPN | P05981 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL1868979 | 0.78 | CYP2A6 (0.52) | CYP2A6PNMTCES1MEN1KMT2A | |
| SCHEMBL29469797 | 0.77 | BCL2L1 (0.52) | PNMTCA2CA1CA9CA6 | |
| SCHEMBL28268909 | 0.77 | BCL2L1 (0.47) | PNMTCA2CA1CA9CA6 | |
| SCHEMBL562067 | 0.77 | BCL2L1 (0.52) | PNMTCA2CA1CA9CA6 | |
| SCHEMBL5672544 | 0.75 | BCL2L1 (0.50) | PNMTCA2CA1CA9CA6 | |
| SCHEMBL264072 | 0.74 | BCL2L1 (0.53) | CYP2A6MEN1USP2ALDH1A1HPN | |
| SCHEMBL206466 | 0.74 | CYP2A6 (0.52) | CYP2A6CYP2C9CES1MEN1ALDH1A1 | |
| SCHEMBL10350480 | 0.72 | PNMT (0.60) | PNMTCA2CA1CA9CA6 | |
| SCHEMBL5535806 | 0.72 | CYP2A6 (0.54) | CYP2A6CYP2C9CES1MEN1USP2 | |
| SCHEMBL24576685 | 0.71 | CYP2A6 (0.52) | CYP2A6CYP2C9CES1MEN1USP2 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6331636-B1 | TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS, DIABETES, HYPERTENSION, IMPOTENCY, APPETITE CONTROL | THE UPJOHN COMPANY | 2001-12-18 | — | — | US | disclosed |
| US-5545755-A | USEFUL TO TREAT CENTRAL NERVOUS SYSTEM DISORDERS, HYPERTENSION, DIABETES, SEXUAL IMPOTENCY AND TO CONTROL APPETITE | THE UPJOHN COMPANY (US) | 1996-08-13 | — | — | US | disclosed |
| EP-0552246-A1 | THERAPEUTICALLY USEFUL 2-AMINOTETRALIN DERIVATIVES | PHARMACIA & UPJOHN COMPANY (US) | 1993-07-28 | — | — | EP | disclosed |
| WO-1992006967-A1 | THERAPEUTICALLY USEFUL 2-AMINOTETRALIN DERIVATIVES | THE UPJOHN COMPANY (US) | 1992-04-30 | — | — | WO | disclosed |
| EP-0476016-A1 | THERAPEUTICALLY USEFUL 2-AMINOTETRALIN DERIVATIVES | PHARMACIA & UPJOHN COMPANY (US) | 1992-03-25 | — | — | EP | disclosed |
| WO-1990015047-A1 | THERAPEUTICALLY USEFUL 2-AMINOTETRALIN DERIVATIVES | THE UPJOHN COMPANY (US) | 1990-12-13 | — | — | WO | disclosed |