Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.35 |
| ▸ | KHK | P50053 | 1/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.33 |
| ▸ | MAPT | P10636 | 2/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | PGK1 | P00558 | 1/20 | 0.31 |
| ▸ | GLA | P06280 | 1/20 | 0.30 |
| ▸ | POLB | P06746 | 1/20 | 0.30 |
| ▸ | GAA | P10253 | 1/20 | 0.30 |
| ▸ | XBP1 | P17861 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL5043253 | 0.68 | ALDH1A1 (0.43) | ALDH1A1KHKNPSR1CYP1A2CYP2C9 | |
| SCHEMBL10803255 | 0.65 | ALDH1A1 (0.42) | ALDH1A1KHKNPSR1CYP1A2CYP2C9 | |
| SCHEMBL566209 | 0.62 | KHK (0.57) | ALDH1A1KHKNPSR1CYP1A2CYP2C9 | |
| SCHEMBL10832908 | 0.61 | SMN1; SMN2 (0.33) | SMN1; SMN2KDM4EGAA | |
| SCHEMBL23357368 | 0.61 | ALDH1A1 (0.41) | ALDH1A1KHKNPSR1CYP1A2CYP2C9 | |
| SCHEMBL30711996 | 0.61 | ALDH1A1 (0.41) | ALDH1A1KHKNPSR1CYP1A2CYP2C9 | |
| SCHEMBL3554942 | 0.61 | CSNK1A1 (0.40) | ALDH1A1KHKNPSR1CYP1A2CYP2C9 | |
| SCHEMBL33527400 | 0.60 | ALDH1A1 (0.41) | ALDH1A1KHKNPSR1CYP1A2CYP2C9 | |
| SCHEMBL33527205 | 0.59 | LMNA (0.53) | ALDH1A1KHKNPSR1CYP1A2CYP2C9 | |
| SCHEMBL6493251 | 0.59 | ALDH1A1 (0.50) | ALDH1A1KHKNPSR1CYP1A2CYP2C9 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1981342-A1 | SELECTIVE BENZYLAMINE DERIVATIVES AND THEIR UTILITY AS CHOLESTEROL ESTER-TRANSFER PROTEIN INHIBITORS | Reddy US Therapeutics, Inc. (US) | 2008-10-22 | — | — | EP | disclosed |
| WO-2007075194-A1 | SELECTIVE BENZYLAMINE DERIVATIVES AND THEIR UTILITY AS CHOLESTEROL ESTER-TRANSFER PROTEIN INHIBITORS | REDDY US THERAPEUTICS, INC. (US) | 2007-07-05 | — | — | WO | disclosed |