Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.58 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.58 |
| ▸ | GAA | P10253 | 2/20 | 0.58 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.58 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.58 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.55 |
| ▸ | LMNA | P02545 | 1/20 | 0.54 |
| ▸ | IDO1 | P14902 | 1/20 | 0.47 |
| ▸ | CTSS | P25774 | 2/20 | 0.45 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.44 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.44 |
| ▸ | PIK3CG | P48736 | 1/20 | 0.44 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.43 |
| ▸ | ATM | Q13315 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.43 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.43 |
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 | 0.81 | ALDH1A1 (0.68) | ALDH1A1CYP1A2GAACYP2C9CYP2C19 | |
| SCHEMBL5593071 | 0.80 | LMNA (0.56) | ALDH1A1L3MBTL1LMNAIDO1CTSS | |
| SCHEMBL3557728 | 0.79 | LMNA (0.55) | ALDH1A1GAAL3MBTL1LMNAIDO1 | |
| SCHEMBL11467792 | 0.79 | LMNA (0.58) | ALDH1A1GAAL3MBTL1LMNAIDO1 | |
| SCHEMBL11114941 | 0.78 | ALDH1A1 (0.62) | ALDH1A1CYP1A2GAACYP2C9CYP2C19 | |
| SCHEMBL3398455 | 0.78 | ADORA2A (0.56) | CYP1A2CYP2C9CYP2C19IDO1CTSS | |
| SCHEMBL3874359 | 0.78 | LMNA (0.54) | ALDH1A1CYP1A2GAAL3MBTL1LMNA | |
| SCHEMBL11265993 | 0.78 | F2RL3 (0.47) | ALDH1A1CYP1A2GAALMNAIDO1 | |
| SCHEMBL1357676 | 0.78 | LMNA (0.54) | ALDH1A1GAAL3MBTL1LMNAIDO1 | |
| SCHEMBL3874666 | 0.78 | LMNA (0.54) | ALDH1A1CYP1A2GAACYP2C9LMNA |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4157392-A | HYPOTENSIVE AGENTS, ANTIINFLAMMATORY AGENTS, ANALGESICS, ANTIPYRETICS AND NERVOUS SYSTEM EFFECTS | DIAMOND SHAMROCK CORPORATION (US) | 1979-06-05 | — | — | US | claimed |
| US-4310551-A | Pharmacologically active substituted 1,2,4-triazines | DIAMOND SHAMROCK CORPORATION (US) | 1982-01-12 | — | — | US | disclosed |
| US-4251527-A | ANTIINFLAMMATORY AGENTS | DIAMOND SHAMROCK CORPORATION (US) | 1981-02-17 | — | — | US | disclosed |
| US-4159375-A | 6- AND 7-Aryl-1,2,4-triazolo[4,3-b]-1,2,4-triazines | AMERICAN CYANAMID COMPANY (US) | 1979-06-26 | — | — | US | disclosed |
| US-4157392-A | HYPOTENSIVE AGENTS, ANTIINFLAMMATORY AGENTS, ANALGESICS, ANTIPYRETICS AND NERVOUS SYSTEM EFFECTS | DIAMOND SHAMROCK CORPORATION (US) | 1979-06-05 | — | — | US | disclosed |