Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTT | P42858 | 1/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | RECQL | P46063 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | ALOX15 | P16050 | 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 | |
|---|---|---|---|---|
| SCHEMBL1345452 | 0.80 | CYP2C19 (0.49) | HTTCYP2C19CYP2C9KMT2AALDH1A1 | |
| SCHEMBL31383801 | 0.80 | CYP2C19 (0.49) | HTTCYP2C19CYP2C9KMT2AALDH1A1 | |
| SCHEMBL649031 | 0.80 | CYP2C19 (0.46) | HTTCYP2C19CYP2C9KMT2AALDH1A1 | |
| SCHEMBL30078420 | 0.80 | CYP2C19 (0.46) | HTTCYP2C19CYP2C9KMT2AALDH1A1 | |
| SCHEMBL2374002 | 0.80 | KMT2A (0.44) | HTTKMT2AALDH1A1 | |
| SCHEMBL3697021 | 0.80 | CASP1 (0.45) | CYP2C19KMT2AALDH1A1 | |
| SCHEMBL9126501 | 0.80 | CYP2C19 (0.46) | HTTCYP2C19CYP2C9KMT2AALDH1A1 | |
| SCHEMBL21296572 | 0.79 | CYP2C19 (0.44) | HTTCYP2C19CYP2C9KMT2AALDH1A1 | |
| SCHEMBL30574489 | 0.79 | CYP2C19 (0.44) | HTTCYP2C19CYP2C9KMT2AALDH1A1 | |
| SCHEMBL7116479 | 0.79 | KMT2A (0.47) | KMT2AALDH1A1POLB |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1980563-A1 | Procedure for the preparation of methyl (+)-(S)-Alpha-(O-chlorophenyl)-6,7-dihydrothieno-[3,2-C]pyridine-5(4H) acetate | BATTULA, Srinivasa Reddy (IN) | 2008-10-15 | — | — | EP | disclosed |