Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 6/20 | 0.42 |
| ▸ | CASP1 | P29466 | 1/20 | 0.42 |
| ▸ | RECQL | P46063 | 1/20 | 0.42 |
| ▸ | CPN1 | P15169 | 1/20 | 0.42 |
| ▸ | CPB2 | Q96IY4 | 1/20 | 0.42 |
| ▸ | CA1 | P00915 | 1/20 | 0.38 |
| ▸ | CA2 | P00918 | 1/20 | 0.38 |
| ▸ | CA9 | Q16790 | 1/20 | 0.38 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.38 |
| ▸ | TRPA1 | O75762 | 2/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.37 |
| ▸ | SLC6A2 | P23975 | 3/20 | 0.37 |
| ▸ | SLC6A4 | P31645 | 3/20 | 0.37 |
| ▸ | SLC6A3 | Q01959 | 3/20 | 0.37 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | ADRB2 | P07550 | 4/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL12185053 | 0.85 | GRIA4 (0.41) | CYP3A4CASP1RECQLCPN1CPB2 | |
| SCHEMBL16805962 | 0.82 | CPN1 (0.41) | CYP3A4CASP1RECQLCPN1CPB2 | |
| SCHEMBL13256250 | 0.82 | HDAC4 (0.53) | CYP3A4CASP1RECQLCPN1CPB2 | |
| SCHEMBL1802188 | 0.82 | HDAC4 (0.53) | CYP3A4CASP1RECQLCPN1CPB2 | |
| SCHEMBL8685825 | 0.80 | CPN1 (0.46) | CYP3A4CASP1RECQLCPN1CPB2 | |
| SCHEMBL1100916 | 0.78 | ESR1 (0.46) | CYP3A4CASP1RECQLCPN1CPB2 | |
| SCHEMBL9255104 | 0.78 | CPN1 (0.41) | CYP3A4CASP1RECQLCPN1CPB2 | |
| SCHEMBL14465479 | 0.78 | CPN1 (0.41) | CYP3A4CASP1RECQLCPN1CPB2 | |
| SCHEMBL1606418 | 0.78 | CPN1 (0.45) | CYP3A4CPN1CPB2CA1CA2 | |
| SCHEMBL1099930 | 0.77 | ADRB2 (0.47) | CYP3A4CASP1RECQLCPN1CPB2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2019113227-A1 | PRODRUGS ACTIVATED BY REDUCTION IN THE CYTOSOL | YALE UNIVERSITY (US) | 2019-06-13 | — | — | WO | disclosed |