Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHEK1 | O14757 | 1/20 | 0.63 |
| ▸ | TRPA1 | O75762 | 2/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.46 |
| ▸ | MAPT | P10636 | 3/20 | 0.46 |
| ▸ | MEN1 | O00255 | 2/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | PKM | P14618 | 1/20 | 0.46 |
| ▸ | HTT | P42858 | 1/20 | 0.46 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.46 |
| ▸ | GAA | P10253 | 1/20 | 0.46 |
| ▸ | HPGD | P15428 | 1/20 | 0.46 |
| ▸ | RAB9A | P51151 | 1/20 | 0.46 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.46 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | AXL | P30530 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | NOS1 | P29475 | 5/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL27227853 | 0.93 | CHEK1 (0.63) | CHEK1TRPA1KDM4EMAPTMEN1 | |
| SCHEMBL24455226 | 0.85 | TRPA1 (0.54) | CHEK1TRPA1KDM4EMAPTMEN1 | |
| SCHEMBL7989217 | 0.81 | TRPA1 (0.48) | CHEK1TRPA1KDM4EMAPTMEN1 | |
| SCHEMBL17120530 | 0.80 | TRPA1 (0.50) | CHEK1TRPA1KDM4EMAPTMEN1 | |
| SCHEMBL27445825 | 0.79 | TRPA1 (0.52) | CHEK1TRPA1KDM4EMAPTMEN1 | |
| SCHEMBL2268059 | 0.78 | CHEK1 (1.00) | CHEK1KDM4EMAPTMEN1KMT2A | |
| SCHEMBL29589219 | 0.78 | CHEK1 (1.00) | CHEK1KDM4EMAPTMEN1KMT2A | |
| SCHEMBL1273919 | 0.77 | CHEK1 (0.73) | CHEK1TRPA1KDM4EMAPTMEN1 | |
| SCHEMBL28294330 | 0.77 | CHEK1 (0.95) | CHEK1KDM4EMAPTMEN1KMT2A | |
| SCHEMBL22792907 | 0.76 | TRPA1 (0.53) | CHEK1TRPA1KDM4EMAPTMEN1 |
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-2020081257-A1 | MODULATORS OF ALPHA-1 ANTITRYPSIN | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2020-04-23 | — | — | WO | disclosed |