Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.58 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.58 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.58 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.58 |
| ▸ | IDO1 | P14902 | 2/20 | 0.50 |
| ▸ | AGXT | P21549 | 2/20 | 0.50 |
| ▸ | MEN1 | O00255 | 2/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.50 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.50 |
| ▸ | SMPD1 | P17405 | 1/20 | 0.47 |
| ▸ | GSTP1 | P09211 | 1/20 | 0.46 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | GRM5 | P41594 | 2/20 | 0.43 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.43 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.43 |
| ▸ | ADAMTS4 | O75173 | 1/20 | 0.42 |
| ▸ | LTA4H | P09960 | 1/20 | 0.42 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL10055039 | 0.90 | NPC1 (0.68) | NPC1ALDH1A1CYP2D6CYP2C19GABRA5 | |
| SCHEMBL29816629 | 0.88 | ALDH1A1 (0.61) | NPC1ALDH1A1CYP2D6CYP2C19IDO1 | |
| SCHEMBL223680 | 0.88 | ALDH1A1 (0.61) | NPC1ALDH1A1CYP2D6CYP2C19IDO1 | |
| Formaldehyde SCHEMBL29285221 | 0.83 | CYP2C19 (0.56) | NPC1ALDH1A1CYP2D6CYP2C19GABRA5 | |
| SCHEMBL510167 | 0.81 | NPC1 (0.58) | NPC1ALDH1A1CYP2D6CYP2C19GABRA5 | |
| SCHEMBL510090 | 0.81 | NPC1 (0.63) | NPC1ALDH1A1CYP2D6CYP2C19GABRA5 | |
| SCHEMBL510400 | 0.81 | NPC1 (0.58) | NPC1ALDH1A1CYP2D6CYP2C19IDO1 | |
| SCHEMBL21054861 | 0.81 | NPC1 (0.58) | NPC1ALDH1A1CYP2D6CYP2C19GABRA5 | |
| SCHEMBL31544077 | 0.81 | NPC1 (0.63) | NPC1ALDH1A1CYP2D6CYP2C19GABRA5 | |
| SCHEMBL18429765 | 0.81 | NPC1 (0.58) | NPC1ALDH1A1CYP2D6CYP2C19IDO1 |
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-1389105-A4 | METHOD OF TREATMENT | MERCK & CO INC (US) | 2005-08-17 | — | — | EP | claimed |
| EP-1389105-A1 | METHOD OF TREATMENT | Merck & Co., Inc. (US) | 2004-02-18 | — | — | EP | claimed |
| WO-2002092081-A1 | METHOD OF TREATMENT | MERCK & CO., INC. (US) | 2002-11-21 | — | — | WO | claimed |
| US-5185340-A | Angiotensin II antagonists | AMERICAN HOME PRODUCTS CORPORATION (US) | 1993-02-09 | — | — | US | disclosed |