Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.62 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.62 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.62 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.62 |
| ▸ | GAA | P10253 | 1/20 | 0.62 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.55 |
| ▸ | MAPT | P10636 | 1/20 | 0.46 |
| ▸ | CFTR | P13569 | 1/20 | 0.44 |
| ▸ | IDO1 | P14902 | 2/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.40 |
| ▸ | ATP4A | P20648 | 1/20 | 0.39 |
| ▸ | ATP4B | P51164 | 1/20 | 0.39 |
| ▸ | AURKA | O14965 | 1/20 | 0.38 |
| ▸ | KDR | P35968 | 1/20 | 0.38 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 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 | |
|---|---|---|---|---|
| SCHEMBL25420456 | 0.82 | ALDH1A1 (0.68) | ALDH1A1CYP1A2CYP2C9CYP2C19GAA | |
| SCHEMBL11336014 | 0.81 | L3MBTL1 (0.71) | ALDH1A1CYP1A2CYP2C9CYP2C19GAA | |
| SCHEMBL2324818 | 0.80 | ALDH1A1 (0.70) | ALDH1A1CYP1A2CYP2C9CYP2C19GAA | |
| SCHEMBL2321470 | 0.79 | ALDH1A1 (0.56) | ALDH1A1CYP1A2CYP2C9CYP2C19GAA | |
| SCHEMBL11278322 | 0.78 | ALDH1A1 (0.58) | ALDH1A1CYP1A2CYP2C9CYP2C19GAA | |
| SCHEMBL5592931 | 0.78 | KDM4E (0.52) | ALDH1A1CYP1A2CYP2C9CYP2C19L3MBTL1 | |
| SCHEMBL2328839 | 0.78 | ALDH1A1 (0.61) | ALDH1A1CYP1A2CYP2C9CYP2C19GAA | |
| SCHEMBL2324638 | 0.76 | ADORA2A (0.53) | IDO1 | |
| SCHEMBL11329822 | 0.76 | NOTUM (0.46) | MAPTIDO1NOTUMKDR | |
| SCHEMBL4272389 | 0.75 | ALDH1A1 (0.58) | ALDH1A1CYP1A2CYP2C9CYP2C19GAA |
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 |
|---|---|---|---|---|---|---|---|
| EP-0088109-A4 | ANTIINFLAMMATORY SUBSTITUTED-1,2,4-TRIAZOLO(4,3-b)-1,2,4-TRIAZINES. | DIAMOND SHAMROCK CORP (US) | 1984-07-06 | — | — | EP | disclosed |
| US-4405619-A | ANALGESICS | DIAMOND SHAMROCK CORPORATION (US) | 1983-09-20 | — | — | US | disclosed |
| EP-0088109-A1 | ANTIINFLAMMATORY SUBSTITUTED-1,2,4-TRIAZOLO(4,3-b)-1,2,4-TRIAZINES | DIAMOND SHAMROCK CORPORATION (US) | 1983-09-14 | — | — | EP | disclosed |
| WO-1983000864-A1 | ANTIINFLAMMATORY SUBSTITUTED-1,2,4-TRIAZOLOAD4,3-bBD-1,2,4-TRIAZINES | DIAMOND SHAMROCK CORP (US) | 1983-03-17 | — | — | WO | disclosed |
| US-4251527-A | ANTIINFLAMMATORY AGENTS | DIAMOND SHAMROCK CORPORATION (US) | 1981-02-17 | — | — | US | disclosed |
| US-4157392-A | HYPOTENSIVE AGENTS, ANTIINFLAMMATORY AGENTS, ANALGESICS, ANTIPYRETICS AND NERVOUS SYSTEM EFFECTS | DIAMOND SHAMROCK CORPORATION (US) | 1979-06-05 | — | — | US | disclosed |