Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTT | P42858 | 1/20 | 0.49 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.49 |
| ▸ | MMP1 | P03956 | 2/20 | 0.43 |
| ▸ | PKM | P14618 | 2/20 | 0.42 |
| ▸ | MMP13 | P45452 | 4/20 | 0.42 |
| ▸ | MMP9 | P14780 | 3/20 | 0.42 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.42 |
| ▸ | KEAP1 | Q14145 | 3/20 | 0.42 |
| ▸ | NFE2L2 | Q16236 | 3/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.41 |
| ▸ | TAS2R14 | Q9NYV8 | 1/20 | 0.41 |
| ▸ | MMP2 | P08253 | 2/20 | 0.41 |
| ▸ | MMP8 | P22894 | 2/20 | 0.41 |
| ▸ | CA1 | P00915 | 1/20 | 0.41 |
| ▸ | CA2 | P00918 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | MMP12 | P39900 | 1/20 | 0.40 |
| ▸ | MMP14 | P50281 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL7984321 | 1.00 | HTT (0.49) | HTTNPSR1MMP1PKMMMP13 | |
| SCHEMBL7985352 | 0.84 | TLR9 (0.46) | NPSR1AKR1C3KEAP1NFE2L2MEN1 | |
| SCHEMBL7985344 | 0.84 | TLR9 (0.46) | NPSR1AKR1C3KEAP1NFE2L2MEN1 | |
| SCHEMBL7988239 | 0.83 | ALDH1A1 (0.47) | NPSR1PKMGAA | |
| SCHEMBL7988245 | 0.83 | ALDH1A1 (0.47) | NPSR1PKMGAA | |
| SCHEMBL489474 | 0.76 | ALOX5 (0.48) | NPSR1AKR1C3 | |
| SCHEMBL7991531 | 0.76 | KMT2A (0.43) | HTTNPSR1MMP1PKMMMP9 | |
| SCHEMBL7991528 | 0.76 | KMT2A (0.43) | HTTNPSR1MMP1PKMMMP9 | |
| SCHEMBL7985329 | 0.76 | MMP1 (0.43) | HTTNPSR1MMP1MMP13MMP9 | |
| SCHEMBL7973750 | 0.75 | ALDH1A1 (0.42) | NPSR1GAA |
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 |