Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.53 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.53 |
| ▸ | BCHE | P06276 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.48 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.48 |
| ▸ | LTA4H | P09960 | 1/20 | 0.47 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.46 |
| ▸ | HTT | P42858 | 2/20 | 0.45 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.45 |
| ▸ | RECQL | P46063 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | GAA | P10253 | 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 | |
|---|---|---|---|---|
| SCHEMBL3355705 | 1.00 | CYP1A2 (0.53) | CYP1A2CYP2D6BCHEALDH1A1NPSR1 | |
| SCHEMBL4042114 | 0.87 | ANPEP (0.46) | SMN1; SMN2 | |
| SCHEMBL3348009 | 0.86 | CYP1A2 (0.47) | CYP1A2CYP2D6ALDH1A1NPSR1CHRM2 | |
| SCHEMBL6887793 | 0.86 | BCHE (0.53) | BCHEALDH1A1LMNACYP3A4GAA | |
| SCHEMBL3382581 | 0.86 | BCHE (0.53) | BCHEALDH1A1LMNACYP3A4GAA | |
| SCHEMBL496172 | 0.85 | BCHE (0.61) | CYP1A2CYP2D6BCHEALDH1A1LMNA | |
| SCHEMBL7951036 | 0.85 | BCHE (0.61) | CYP1A2CYP2D6BCHEALDH1A1LMNA | |
| SCHEMBL3353939 | 0.85 | BCHE (0.61) | CYP1A2CYP2D6BCHEALDH1A1LMNA | |
| SCHEMBL2605624 | 0.85 | BCHE (0.61) | CYP1A2CYP2D6BCHEALDH1A1LMNA | |
| Hydrochloric Acid SCHEMBL5225060 | 0.84 | BCHE (0.60) | CYP1A2CYP2D6BCHEALDH1A1LMNA |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| JP-2004502669-A | — | — | 2004-01-29 | — | — | JP | claimed |
| EP-1353898-A2 | COMPOUNDS TO TREAT ALZHEIMER'S DISEASE | Elan Pharmaceuticals, Inc. (US) | 2003-10-22 | — | — | EP | claimed |
| WO-2002002512-A2 | COMPOUNDS TO TREAT ALZHEIMER'S DISEASE | ELAN PHARMACEUTICALS, INC. (US) | 2002-01-10 | — | — | WO | claimed |