Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MMP2 | P08253 | 2/20 | 0.48 |
| ▸ | MMP9 | P14780 | 2/20 | 0.48 |
| ▸ | MMP1 | P03956 | 1/20 | 0.48 |
| ▸ | MMP3 | P08254 | 1/20 | 0.48 |
| ▸ | MMP8 | P22894 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.46 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.46 |
| ▸ | AKR1A1 | P14550 | 1/20 | 0.46 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.46 |
| ▸ | HTR2A | P28223 | 1/20 | 0.46 |
| ▸ | HTR2C | P28335 | 1/20 | 0.46 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.46 |
| ▸ | HRH1 | P35367 | 1/20 | 0.46 |
| ▸ | DRD3 | P35462 | 1/20 | 0.46 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.46 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.46 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.46 |
| ▸ | CA2 | P00918 | 3/20 | 0.45 |
| ▸ | RECQL | P46063 | 2/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL6378071 | 0.89 | ALDH1A1 (0.53) | MMP2MMP9MMP1MMP3MMP8 | |
| SCHEMBL7988020 | 0.87 | MMP1 (0.53) | MMP2MMP9MMP1MMP3MMP8 | |
| SCHEMBL7077429 | 0.84 | HTT (0.52) | MMP2MMP9MMP1MMP3MMP8 | |
| SCHEMBL7833538 | 0.83 | ALDH1A1 (0.51) | MMP2MMP9MMP1MMP3MMP8 | |
| SCHEMBL7080694 | 0.79 | MMP2 (0.47) | MMP2MMP9MMP1MMP3MMP8 | |
| SCHEMBL7985039 | 0.79 | MMP1 (0.56) | MMP2MMP9MMP1MMP3MMP8 | |
| SCHEMBL27304893 | 0.79 | ALDH1A1 (0.50) | ALDH1A1TDP1RECQLCYP3A4CYP2C9 | |
| SCHEMBL27304966 | 0.78 | ALDH1A1 (0.53) | ALDH1A1TDP1RECQLCYP3A4CYP2C9 | |
| SCHEMBL28138719 | 0.78 | PSIP1 (0.50) | MMP2MMP9MMP1MMP3MMP8 | |
| SCHEMBL27701759 | 0.77 | CHRM1 (0.44) | ALDH1A1TDP1CHRM1AKR1A1CHRM3 |
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 |