Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.62 |
| ▸ | ACHE | P22303 | 3/20 | 0.60 |
| ▸ | FUCA1 | P04066 | 2/20 | 0.60 |
| ▸ | SLC18A3 | Q16572 | 1/20 | 0.57 |
| ▸ | MAPT | P10636 | 1/20 | 0.53 |
| ▸ | BCHE | P06276 | 2/20 | 0.51 |
| ▸ | BACE1 | P56817 | 2/20 | 0.51 |
| ▸ | GBA1 | P04062 | 1/20 | 0.51 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.50 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.50 |
| ▸ | CCR3 | P51677 | 1/20 | 0.50 |
| ▸ | NPC1 | O15118 | 1/20 | 0.50 |
| ▸ | RAB9A | P51151 | 1/20 | 0.50 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.49 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.49 |
| ▸ | GRIN2B | Q13224 | 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 | |
|---|---|---|---|---|
| SCHEMBL736285 | 1.00 | ALDH1A1 (0.62) | ALDH1A1ACHEFUCA1SLC18A3MAPT | |
| SCHEMBL736287 | 1.00 | ALDH1A1 (0.62) | ALDH1A1ACHEFUCA1SLC18A3MAPT | |
| SCHEMBL736286 | 1.00 | ALDH1A1 (0.62) | ALDH1A1ACHEFUCA1SLC18A3MAPT | |
| SCHEMBL28461967 | 1.00 | ALDH1A1 (0.62) | ALDH1A1ACHEFUCA1SLC18A3MAPT | |
| Hydrochloric Acid SCHEMBL28093868 | 0.98 | ALDH1A1 (0.60) | ALDH1A1ACHEFUCA1SLC18A3MAPT | |
| Alcohol SCHEMBL7113880 | 0.95 | ALDH1A1 (0.57) | ALDH1A1ACHEFUCA1SLC18A3MAPT | |
| SCHEMBL5745121 | 0.92 | ALDH1A1 (0.54) | ALDH1A1ACHEFUCA1SLC18A3MAPT | |
| SCHEMBL765298 | 0.87 | ACHE (0.60) | ALDH1A1ACHEFUCA1SLC18A3MAPT | |
| SCHEMBL914717 | 0.87 | ACHE (0.60) | ALDH1A1ACHEFUCA1SLC18A3MAPT | |
| SCHEMBL10267804 | 0.87 | ACHE (0.60) | ALDH1A1ACHEFUCA1SLC18A3MAPT |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2276731-A1 | 2-SULFONYLAMINO-4-HETEROARYL BUTYRAMIDE ANTAGONISTS OF CCR10 | Boehringer Ingelheim International GmbH (DE) | 2011-01-26 | — | — | EP | disclosed |
| WO-2009126675-A1 | 2-SULFONYLAMINO-4-HETEROARYL BUTYRAMIDE ANTAGONISTS OF CCR10 | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2009-10-15 | — | — | WO | disclosed |
| EP-1286967-A1 | CYCLOHEXANE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS | MERCK SHARP & DOHME LTD. (GB) | 2003-03-05 | — | — | EP | disclosed |
| WO-2001087838-A1 | CYCLOHEXANE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS | MERCK SHARP & DOHME LIMITED (GB) | 2001-11-22 | — | — | WO | disclosed |