Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.61 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.61 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.61 |
| ▸ | LPL | P06858 | 3/20 | 0.57 |
| ▸ | LIPG | Q9Y5X9 | 3/20 | 0.57 |
| ▸ | TAAR1 | Q96RJ0 | 3/20 | 0.55 |
| ▸ | PPARG | P37231 | 1/20 | 0.49 |
| ▸ | PPARA | Q07869 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL1577575 | 1.00 | CYP1A2 (0.61) | CYP1A2CYP2D6CYP2C19LPLLIPG | |
| SCHEMBL28656641 | 1.00 | CYP1A2 (0.61) | CYP1A2CYP2D6CYP2C19LPLLIPG | |
| SCHEMBL5599017 | 1.00 | CYP1A2 (0.61) | CYP1A2CYP2D6CYP2C19LPLLIPG | |
| SCHEMBL19304390 | 1.00 | CYP1A2 (0.61) | CYP1A2CYP2D6CYP2C19LPLLIPG | |
| SCHEMBL2442972 | 1.00 | CYP1A2 (0.61) | CYP1A2CYP2D6CYP2C19LPLLIPG | |
| SCHEMBL2998787 | 0.98 | CYP1A2 (0.60) | CYP1A2CYP2D6CYP2C19LPLLIPG | |
| Nitrogen SCHEMBL23668052 | 0.96 | CYP1A2 (0.58) | CYP1A2CYP2D6CYP2C19LPLLIPG | |
| SCHEMBL417687 | 0.92 | TAAR1 (0.59) | CYP1A2CYP2D6CYP2C19LPLLIPG | |
| SCHEMBL19524669 | 0.90 | TAAR1 (0.65) | CYP1A2CYP2D6CYP2C19TAAR1 | |
| SCHEMBL27390155 | 0.90 | LPL (0.51) | CYP1A2CYP2D6CYP2C19LPLLIPG |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2020245297-A1 | PYRROLE DERIVATIVES AS ACC INHIBITORS | ALMIRALL, S.A. (ES) | 2020-12-10 | — | — | WO | disclosed |
| EP-0225602-B1 | ALPHA-HYDROXYTHIO ETHERS | CIBA-GEIGY AG (CH) | 1991-10-09 | — | — | EP | disclosed |
| EP-0228045-B1 | AROMATIC THIOETHERS | CIBA-GEIGY AG (CH) | 1991-04-03 | — | — | EP | disclosed |
| US-4808572-A | ANTIALLERGENS | CIBA-GEIGY CORPORATION (US) | 1989-02-28 | — | — | US | disclosed |
| US-4785004-A | ANTIALLERGENS, ANTIHISTAMINES | CIBA-GEIGY CORPORATION (US) | 1988-11-15 | — | — | US | disclosed |
| EP-0123543-B1 | LEUKOTRIENE ANTAGONISTS, THEIR PRODUCTION AND USE AND COMPOSITIONS CONTAINING THEM | MERCK FROSST CANADA INC. (CA) | 1988-02-03 | — | — | EP | disclosed |
| EP-0228045-A2 | Aromatic thioethers | CIBA-GEIGY AG (CH) | 1987-07-08 | — | — | EP | disclosed |
| EP-0225602-A2 | Alpha-hydroxythio ethers | CIBA-GEIGY AG (CH) | 1987-06-16 | — | — | EP | disclosed |
| US-4609744-A | 4-oxo-benzopyran carboxylic acids | MERCK FROSST CANADA INC. (CA) | 1986-09-02 | — | — | US | disclosed |
| EP-0123543-A1 | Leukotriene antagonists, their production and use and compositions containing them | MERCK FROSST CANADA INC. (CA) | 1984-10-31 | — | — | EP | disclosed |