Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TP53 | P04637 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | TLR2 | O60603 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.30 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL10381852 | 0.90 | ADRA2C (0.31) | — | |
| SCHEMBL19397895 | 0.85 | ALDH1A1 (0.38) | TP53MAPTTLR2ALDH1A1TSHR | |
| SCHEMBL9975903 | 0.84 | MAPT (0.36) | TP53MAPTTLR2ALDH1A1TSHR | |
| SCHEMBL10364454 | 0.83 | TP53 (0.32) | TP53MAPTTLR2 | |
| SCHEMBL10382630 | 0.82 | RAF1 (0.41) | TP53MAPTTLR2 | |
| SCHEMBL10364962 | 0.82 | KDM4E (0.45) | TP53MAPTALDH1A1KDM4EKMT2A | |
| SCHEMBL9975909 | 0.80 | SLC6A3 (0.37) | TP53MAPTTLR2ALDH1A1KDM4E | |
| SCHEMBL9975697 | 0.80 | MAPT (0.39) | TP53MAPTTLR2ALDH1A1KDM4E | |
| SCHEMBL9975771 | 0.79 | NR1I2 (0.40) | TP53MAPTTLR2ALDH1A1TSHR | |
| SCHEMBL9975732 | 0.78 | ALDH1A1 (0.45) | TP53MAPTALDH1A1TSHRKDM4E |
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-2012083105-A1 | INHIBITORS OF HEPATITIS C VIRUS POLYMERASE | COCRYSTAL DISCOVERY, INC. (US) | 2012-06-21 | — | — | WO | disclosed |