Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.46 |
| ▸ | ERN1 | O75460 | 7/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | PRKDC | P78527 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 2/20 | 0.35 |
| ▸ | HPGD | P15428 | 2/20 | 0.35 |
| ▸ | GPR55 | Q9Y2T6 | 1/20 | 0.35 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.34 |
| ▸ | PGR | P06401 | 1/20 | 0.34 |
| ▸ | NR3C2 | P08235 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL16117692 | 0.82 | ALDH1A1 (0.49) | ALDH1A1ERN1KDM4ETSHRTDP1 | |
| SCHEMBL21302122 | 0.81 | ALDH1A1 (0.37) | ALDH1A1KDM4ETSHRL3MBTL1GAA | |
| SCHEMBL16638555 | 0.78 | TP53 (0.44) | KDM4ETSHRHPGDNR3C1NR3C2 | |
| SCHEMBL1049563 | 0.74 | ALDH1A1 (0.66) | ALDH1A1ERN1KDM4ETSHRTDP1 | |
| SCHEMBL16638223 | 0.73 | LMNA (0.38) | HPGD | |
| SCHEMBL15054285 | 0.72 | ALDH1A1 (0.55) | ALDH1A1ERN1KDM4ETSHRTDP1 | |
| SCHEMBL1787396 | 0.71 | ALDH1A1 (0.67) | ALDH1A1ERN1KDM4ETSHRTDP1 | |
| SCHEMBL4065455 | 0.70 | ALDH1A1 (0.53) | ALDH1A1ERN1KDM4ETSHRTDP1 | |
| SCHEMBL11259141 | 0.69 | LMNA (0.37) | HPGD | |
| SCHEMBL31542099 | 0.69 | ALOX15 (0.58) | ALDH1A1KDM4EHPGDCYP1A2 |
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 |
|---|---|---|---|---|---|---|---|
| US-9926267-B2 | Covalent inhibitors of K-Ras G12C | ARAXES PHARMA LLC (US) | 2018-03-27 | — | — | US | disclosed |