Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.45 |
| ▸ | AGTR1 | P30556 | 6/20 | 0.40 |
| ▸ | AGTR2 | P50052 | 6/20 | 0.40 |
| ▸ | CA1 | P00915 | 1/20 | 0.39 |
| ▸ | CA2 | P00918 | 1/20 | 0.39 |
| ▸ | CA9 | Q16790 | 1/20 | 0.39 |
| ▸ | P2RX3 | P56373 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL6004353 | 0.86 | AGTR1 (0.54) | AGTR1AGTR2 | |
| SCHEMBL8096048 | 0.82 | IDO1 (0.41) | CA1CA2CA9P2RX3 | |
| SCHEMBL8096066 | 0.82 | TSHR (0.46) | TSHRAGTR1AGTR2CA1CA2 | |
| SCHEMBL8105468 | 0.80 | TSHR (0.44) | TSHRAGTR1AGTR2CA1CA2 | |
| SCHEMBL8105788 | 0.79 | TSHR (0.43) | TSHRAGTR1AGTR2 | |
| SCHEMBL8109215 | 0.78 | RXRA (0.46) | — | |
| SCHEMBL8103155 | 0.73 | AGTR1 (0.54) | TSHRAGTR1AGTR2CA1CA2 | |
| SCHEMBL8105278 | 0.72 | TSHR (0.45) | TSHRAGTR1AGTR2CA1CA2 | |
| SCHEMBL8105579 | 0.72 | TSHR (0.44) | TSHRAGTR1AGTR2CA1CA2 | |
| SCHEMBL8095728 | 0.71 | TSHR (0.49) | TSHRAGTR1AGTR2CA1CA2 |
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 |
|---|---|---|---|---|---|---|---|
| JP-3098772-B2 | — | — | 2000-10-16 | — | — | JP | claimed |
| EP-0527851-A1 | 1H-SUBSTITUTED-1,2,4-TRIAZOLE COMPOUNDS FOR TREATMENT OF CARDIOVASCULAR DISORDERS | G.D. SEARLE & CO. (US) | 1993-02-24 | — | — | EP | claimed |
| WO-1991017148-A1 | 1H-SUBSTITUTED-1,2,4-TRIAZOLE COMPOUNDS FOR TREATMENT OF CARDIOVASCULAR DISORDERS | G.D. SEARLE & CO. (US) | 1991-11-14 | — | — | WO | claimed |
| EP-0527851-A1 | 1H-SUBSTITUTED-1,2,4-TRIAZOLE COMPOUNDS FOR TREATMENT OF CARDIOVASCULAR DISORDERS | G.D. SEARLE & CO. (US) | 1993-02-24 | — | — | EP | disclosed |
| US-5098920-A | Hypotensive agents and treatment of congestive heart failure | G. D. SEARLE & CO. (US) | 1992-03-24 | — | — | US | disclosed |
| WO-1991017148-A1 | 1H-SUBSTITUTED-1,2,4-TRIAZOLE COMPOUNDS FOR TREATMENT OF CARDIOVASCULAR DISORDERS | G.D. SEARLE & CO. (US) | 1991-11-14 | — | — | WO | disclosed |