Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.42 |
| ▸ | MCOLN3 | Q8TDD5 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 2/20 | 0.39 |
| ▸ | HPGD | P15428 | 2/20 | 0.39 |
| ▸ | CTSB | P07858 | 1/20 | 0.38 |
| ▸ | CTSH | P09668 | 1/20 | 0.38 |
| ▸ | CTSS | P25774 | 1/20 | 0.38 |
| ▸ | CTSK | P43235 | 1/20 | 0.38 |
| ▸ | CTSC | P53634 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | BCAT1 | P54687 | 1/20 | 0.37 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.37 |
| ▸ | RECQL | P46063 | 1/20 | 0.37 |
| ▸ | PSIP1 | O75475 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL7973747 | 1.00 | ALDH1A1 (0.42) | ALDH1A1CYP2C19L3MBTL1CYP1A2CYP2C9 | |
| SCHEMBL7988239 | 0.84 | ALDH1A1 (0.47) | ALDH1A1CYP2C19L3MBTL1CYP1A2CYP2C9 | |
| SCHEMBL7988245 | 0.84 | ALDH1A1 (0.47) | ALDH1A1CYP2C19L3MBTL1CYP1A2CYP2C9 | |
| SCHEMBL28381672 | 0.76 | ALDH1A1 (0.49) | ALDH1A1CYP2C19L3MBTL1CYP1A2CYP2C9 | |
| SCHEMBL7984313 | 0.75 | HTT (0.49) | NPSR1GAA | |
| SCHEMBL7984321 | 0.75 | HTT (0.49) | NPSR1GAA | |
| SCHEMBL11818250 | 0.75 | RECQL (0.51) | CYP2C9SMN1; SMN2RECQLLMNA | |
| SCHEMBL11818255 | 0.75 | RECQL (0.51) | CYP2C9SMN1; SMN2RECQLLMNA | |
| SCHEMBL28296366 | 0.73 | ALDH1A1 (0.48) | ALDH1A1L3MBTL1GAAHPGDSMN1; SMN2 | |
| SCHEMBL7985352 | 0.73 | TLR9 (0.46) | ALDH1A1CYP2C19L3MBTL1CYP1A2CYP2C9 |
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 |