Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.47 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.47 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.47 |
| ▸ | MCOLN3 | Q8TDD5 | 1/20 | 0.47 |
| ▸ | PSIP1 | O75475 | 1/20 | 0.41 |
| ▸ | HSD11B1 | P28845 | 3/20 | 0.41 |
| ▸ | TLR9 | Q9NR96 | 1/20 | 0.40 |
| ▸ | CES2 | O00748 | 1/20 | 0.40 |
| ▸ | CES1 | P23141 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 2/20 | 0.39 |
| ▸ | PKM | P14618 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 2/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | RECQL | P46063 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL7988245 | 1.00 | ALDH1A1 (0.47) | ALDH1A1L3MBTL1CYP2C19CYP1A2CYP2C9 | |
| SCHEMBL7985352 | 0.87 | TLR9 (0.46) | ALDH1A1L3MBTL1CYP2C19CYP1A2CYP2C9 | |
| SCHEMBL7985344 | 0.87 | TLR9 (0.46) | ALDH1A1L3MBTL1CYP2C19CYP1A2CYP2C9 | |
| SCHEMBL7973747 | 0.84 | ALDH1A1 (0.42) | ALDH1A1L3MBTL1CYP2C19CYP1A2CYP2C9 | |
| SCHEMBL7973750 | 0.84 | ALDH1A1 (0.42) | ALDH1A1L3MBTL1CYP2C19CYP1A2CYP2C9 | |
| SCHEMBL7984321 | 0.83 | HTT (0.49) | NPSR1GAAPKM | |
| SCHEMBL7984313 | 0.83 | HTT (0.49) | NPSR1GAAPKM | |
| SCHEMBL7991531 | 0.79 | KMT2A (0.43) | ALDH1A1L3MBTL1NPSR1PKMHPGD | |
| SCHEMBL7991528 | 0.79 | KMT2A (0.43) | ALDH1A1L3MBTL1NPSR1PKMHPGD | |
| SCHEMBL7991252 | 0.75 | KMT2A (0.39) | ALDH1A1L3MBTL1NPSR1PKMSMN1; SMN2 |
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 |
|---|---|---|---|---|---|---|---|
| US-6274758-B1 | ENANTIOMORPH SELECTIVITY | DARWIN DISCOVERY, LTD. (GB) | 2001-08-14 | — | — | US | disclosed |
| EP-1017650-A1 | ASYMMETRIC HYDROGENATION | Darwin Discovery Limited (GB) | 2000-07-12 | — | — | EP | disclosed |
| WO-1999015481-A1 | ASYMMETRIC HYDROGENATION | DARWIN DISCOVERY LIMITED (GB) | 1999-04-01 | — | — | WO | disclosed |