Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EGLN1 | Q9GZT9 | 2/20 | 0.39 |
| ▸ | VEGFA | P15692 | 1/20 | 0.39 |
| ▸ | AKR1B1 | P15121 | 4/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.37 |
| ▸ | S1PR2 | O95136 | 4/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.37 |
| ▸ | GAA | P10253 | 4/20 | 0.37 |
| ▸ | HPGD | P15428 | 4/20 | 0.37 |
| ▸ | GLA | P06280 | 3/20 | 0.37 |
| ▸ | RAB9A | P51151 | 3/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.37 |
| ▸ | NPC1 | O15118 | 2/20 | 0.37 |
| ▸ | ATM | Q13315 | 2/20 | 0.37 |
| ▸ | PARP1 | P09874 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL25947188 | 0.83 | MAP4K1 (0.39) | AKR1B1KDM4ES1PR2ALDH1A1GAA | |
| SCHEMBL21685793 | 0.81 | TLR8 (0.37) | AKR1B1KDM4ES1PR2ALDH1A1GAA | |
| SCHEMBL21685712 | 0.80 | SMN1; SMN2 (0.53) | AKR1B1KDM4ES1PR2ALDH1A1GAA | |
| SCHEMBL21702992 | 0.79 | MAP4K1 (0.52) | AKR1B1KDM4ES1PR2ALDH1A1GAA | |
| SCHEMBL21702994 | 0.79 | MAP4K1 (0.40) | AKR1B1KDM4ES1PR2ALDH1A1GAA | |
| SCHEMBL21702985 | 0.78 | MAP4K1 (0.52) | AKR1B1KDM4ES1PR2ALDH1A1GAA | |
| SCHEMBL25947354 | 0.76 | MAP4K1 (0.40) | AKR1B1KDM4ES1PR2ALDH1A1GAA | |
| SCHEMBL21684882 | 0.74 | MAPK14 (0.47) | MAP4K1 | |
| SCHEMBL21684178 | 0.73 | DHFR (0.50) | KDM4EALDH1A1GAAHPGDMAPT | |
| SCHEMBL31304006 | 0.73 | DHFR (0.50) | KDM4EALDH1A1GAAHPGDMAPT |
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-2020033784-A1 | TRANSGLUTAMINASE 2 (TG2) INHIBITORS | SITARI PHARMA, INC. (US) | 2020-02-13 | — | — | WO | disclosed |