Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK2 | O75116 | 4/20 | 0.50 |
| ▸ | ROCK1 | Q13464 | 4/20 | 0.50 |
| ▸ | PRKACA | P17612 | 2/20 | 0.50 |
| ▸ | IRAK1 | P51617 | 2/20 | 0.50 |
| ▸ | PRKX | P51817 | 2/20 | 0.50 |
| ▸ | PRKG1 | Q13976 | 2/20 | 0.50 |
| ▸ | PKN2 | Q16513 | 2/20 | 0.50 |
| ▸ | CLK4 | Q9HAZ1 | 2/20 | 0.50 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.50 |
| ▸ | RPS6KA5 | O75582 | 1/20 | 0.50 |
| ▸ | RPS6KA4 | O75676 | 1/20 | 0.50 |
| ▸ | GSK3A | P49840 | 1/20 | 0.50 |
| ▸ | GSK3B | P49841 | 1/20 | 0.50 |
| ▸ | SGK2 | Q9HBY8 | 1/20 | 0.50 |
| ▸ | PIN1 | Q13526 | 5/20 | 0.44 |
| ▸ | CTRB1 | P17538 | 1/20 | 0.44 |
| ▸ | NPC1 | O15118 | 2/20 | 0.43 |
| ▸ | RAB9A | P51151 | 2/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | RPS6KB1 | P23443 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL7314900 | 0.85 | PYGL (0.43) | NPC1RAB9APLA2G10PLA2G2A | |
| SCHEMBL7313788 | 0.85 | CAPN1 (0.48) | CTSL | |
| SCHEMBL7789995 | 0.85 | CAPN1 (0.54) | NPC1RAB9ACTSLPLA2G10PLA2G2A | |
| SCHEMBL28227062 | 0.80 | PLA2G10 (0.46) | KMT2APLA2G10PLA2G2A | |
| SCHEMBL7787012 | 0.79 | ROCK2 (0.47) | ROCK2ROCK1PRKACAIRAK1PRKX | |
| SCHEMBL7322246 | 0.79 | TSHR (0.50) | PLA2G10PLA2G2A | |
| SCHEMBL7782141 | 0.78 | HPGDS (0.47) | ROCK2ROCK1PRKACAIRAK1PRKX | |
| SCHEMBL7782210 | 0.78 | DYRK1A (0.47) | ROCK2ROCK1PRKACAIRAK1PRKX | |
| SCHEMBL7314496 | 0.78 | PIN1 (0.48) | ROCK2ROCK1PRKACAIRAK1PRKX | |
| SCHEMBL7787042 | 0.78 | DYRK1A (0.47) | ROCK2ROCK1PRKACAIRAK1PRKX |
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-6251917-B1 | Benzamidoaldehydes and their use as cysteine protease inhibitors | BASF AKTIENGESELLSCHAFT (DE) | 2001-06-26 | — | — | US | disclosed |