Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK1 | Q13464 | 5/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | JAK2 | O60674 | 1/20 | 0.34 |
| ▸ | JAK1 | P23458 | 1/20 | 0.34 |
| ▸ | TRPV1 | Q8NER1 | 3/20 | 0.34 |
| ▸ | DHPS | P49366 | 1/20 | 0.34 |
| ▸ | ROCK2 | O75116 | 3/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | IDO1 | P14902 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | NOS1 | P29475 | 3/20 | 0.31 |
| ▸ | AURKA | O14965 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL24094357 | 0.74 | JAK2 (0.41) | ROCK1JAK2JAK1TRPV1DHPS | |
| SCHEMBL5404343 | 0.67 | FGFR1 (0.44) | MAPTJAK2JAK1HPGDHTT | |
| SCHEMBL8404436 | 0.66 | IDO1 (0.46) | MAPTJAK2JAK1IDO1NOS1 | |
| SCHEMBL29951352 | 0.64 | ROCK1 (0.41) | ROCK1JAK2JAK1ROCK2IDO1 | |
| SCHEMBL15288440 | 0.64 | ROCK1 (0.41) | ROCK1JAK2JAK1ROCK2IDO1 | |
| SCHEMBL23464679 | 0.63 | NOS1 (0.55) | JAK2JAK1IDO1NOS1FLT3 | |
| SCHEMBL18135157 | 0.63 | NOS1 (0.55) | POLBJAK2JAK1IDO1NOS1 | |
| SCHEMBL7918824 | 0.63 | IDO1 (0.43) | JAK2JAK1IDO1NOS1FLT3 | |
| SCHEMBL767506 | 0.63 | NOS1 (0.55) | JAK2JAK1IDO1NOS1AXL | |
| SCHEMBL11210678 | 0.62 | HSD17B10 (0.44) | ROCK1POLBMAPTNPC1LMNA |
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-2023009475-A1 | ROCK2 INHIBITORS AND USES THEREOF | PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) | 2023-02-02 | — | — | WO | disclosed |