Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK2 | O75116 | 7/20 | 0.55 |
| ▸ | MAPT | P10636 | 3/20 | 0.55 |
| ▸ | ROCK1 | Q13464 | 2/20 | 0.55 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.55 |
| ▸ | MEN1 | O00255 | 2/20 | 0.55 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.55 |
| ▸ | GAA | P10253 | 1/20 | 0.55 |
| ▸ | HPGD | P15428 | 1/20 | 0.55 |
| ▸ | RAB9A | P51151 | 1/20 | 0.55 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.55 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.55 |
| ▸ | NOS1 | P29475 | 4/20 | 0.50 |
| ▸ | METAP2 | P50579 | 1/20 | 0.50 |
| ▸ | CSNK2A1 | P68400 | 1/20 | 0.50 |
| ▸ | TRPA1 | O75762 | 2/20 | 0.48 |
| ▸ | GSK3B | P49841 | 4/20 | 0.46 |
| ▸ | CLK1 | P49759 | 2/20 | 0.46 |
| ▸ | DYRK3 | O43781 | 1/20 | 0.46 |
| ▸ | CLK2 | P49760 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL263567 | 1.00 | ROCK2 (0.55) | ROCK2MAPTROCK1KDM4EMEN1 | |
| SCHEMBL1754871 | 1.00 | ROCK2 (0.55) | ROCK2MAPTROCK1KDM4EMEN1 | |
| Hydrochloric Acid SCHEMBL28598925 | 0.98 | ROCK2 (0.53) | ROCK2MAPTROCK1KDM4EMEN1 | |
| Hydrochloric Acid SCHEMBL28598924 | 0.98 | ROCK2 (0.53) | ROCK2MAPTROCK1KDM4EMEN1 | |
| Hydrochloric Acid SCHEMBL1210017 | 0.98 | ROCK2 (0.53) | ROCK2MAPTROCK1KDM4EMEN1 | |
| Hydrochloric Acid SCHEMBL1210209 | 0.98 | ROCK2 (0.53) | ROCK2MAPTROCK1KDM4EMEN1 | |
| Hydrochloric Acid SCHEMBL29915566 | 0.98 | ROCK2 (0.53) | ROCK2MAPTROCK1KDM4EMEN1 | |
| SCHEMBL18559548 | 0.86 | MAPT (0.55) | ROCK2MAPTROCK1KDM4EMEN1 | |
| SCHEMBL84462 | 0.85 | TRPA1 (0.54) | ROCK2MAPTROCK1KDM4EMEN1 | |
| SCHEMBL20841219 | 0.82 | NOS1 (0.55) | ROCK2MAPTROCK1KDM4EMEN1 |
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-2020114949-A1 | HETEROAROMATIC COMPOUNDS AS VANIN INHIBITORS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2020-06-11 | — | — | WO | disclosed |