Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK2 | O75116 | 2/20 | 0.50 |
| ▸ | ROCK1 | Q13464 | 2/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.50 |
| ▸ | TSHR | P16473 | 1/20 | 0.50 |
| ▸ | GAA | P10253 | 1/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.46 |
| ▸ | NAMPT | P43490 | 2/20 | 0.46 |
| ▸ | PHGDH | O43175 | 4/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.45 |
| ▸ | KIT | P10721 | 2/20 | 0.43 |
| ▸ | BRAF | P15056 | 2/20 | 0.43 |
| ▸ | MTOR | P42345 | 1/20 | 0.42 |
| ▸ | FYN | P06241 | 1/20 | 0.42 |
| ▸ | DDR1 | Q08345 | 2/20 | 0.42 |
| ▸ | DDR2 | Q16832 | 2/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 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 | |
|---|---|---|---|---|
| SCHEMBL23320380 | 0.79 | NAMPT (0.72) | ROCK2ROCK1NAMPT | |
| SCHEMBL23320575 | 0.78 | NAMPT (0.58) | ROCK2ROCK1HSD17B10NAMPTBRAF | |
| SCHEMBL11615932 | 0.76 | HSD17B10 (0.79) | ROCK2ROCK1ALDH1A1TSHRGAA | |
| Formamide SCHEMBL23320426 | 0.72 | ALDH1A1 (0.47) | ROCK2ROCK1ALDH1A1TSHRGAA | |
| SCHEMBL4531077 | 0.71 | HSD17B10 (0.70) | ROCK2ROCK1ALDH1A1TSHRGAA | |
| SCHEMBL4519247 | 0.71 | HSD17B10 (0.70) | ROCK2ROCK1ALDH1A1TSHRGAA | |
| SCHEMBL23320366 | 0.69 | NAMPT (0.66) | ROCK2ROCK1ALDH1A1TSHRGAA | |
| SCHEMBL23320508 | 0.67 | ALDH1A1 (0.50) | ROCK2ROCK1ALDH1A1TSHRGAA | |
| SCHEMBL23320400 | 0.67 | NAMPT (0.66) | ROCK2ROCK1ALDH1A1TSHRHSD17B10 | |
| SCHEMBL2560272 | 0.67 | ROCK2 (1.00) | ROCK2ROCK1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3818053-A1 | FUSED RING COMPOUND HAVING UREA STRUCTURE | Sanford Burnham Prebys Medical Discovery Institute (US) | 2021-05-12 | — | — | EP | disclosed |