Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK2 | O75116 | 1/20 | 0.36 |
| ▸ | METAP2 | P50579 | 1/20 | 0.34 |
| ▸ | FABP3 | P05413 | 1/20 | 0.30 |
| ▸ | FABP4 | P15090 | 1/20 | 0.30 |
| ▸ | PTGES2 | Q9H7Z7 | 1/20 | 0.30 |
| ▸ | PTGS1 | P23219 | 3/20 | 0.30 |
| ▸ | MEN1 | O00255 | 2/20 | 0.30 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.30 |
| ▸ | FABP2 | P12104 | 1/20 | 0.30 |
| ▸ | TSHR | P16473 | 1/20 | 0.30 |
| ▸ | AKR1C4 | P17516 | 1/20 | 0.30 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.30 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.30 |
| ▸ | HTR2C | P28335 | 1/20 | 0.30 |
| ▸ | DRD3 | P35462 | 1/20 | 0.30 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.30 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.30 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.30 |
| ▸ | SLC22A6 | Q4U2R8 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL30159236 | 0.77 | ROCK2 (0.42) | ROCK2METAP2FABP3FABP4 | |
| SCHEMBL30301693 | 0.77 | ROCK2 (0.42) | ROCK2METAP2FABP3FABP4 | |
| SCHEMBL12224225 | 0.77 | ROCK2 (0.35) | ROCK2LMNA | |
| SCHEMBL15814188 | 0.76 | ROCK2 (0.34) | ROCK2LMNACYP1A2 | |
| SCHEMBL3432179 | 0.76 | ROCK2 (0.34) | ROCK2 | |
| SCHEMBL29353263 | 0.75 | ROCK2 (0.35) | ROCK2FABP3FABP4 | |
| SCHEMBL165778 | 0.75 | ROCK2 (0.35) | ROCK2FABP3FABP4 | |
| SCHEMBL2727228 | 0.74 | ROCK2 (0.49) | ROCK2METAP2FABP3FABP4PTGS2 | |
| SCHEMBL31068107 | 0.74 | ROCK2 (0.34) | ROCK2 | |
| SCHEMBL4003562 | 0.74 | ROCK2 (0.37) | ROCK2METAP2 |
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-2023098730-A1 | COMPOUND CONTAINING CYCLOALKYL OR HALOALKYL | 正大天晴药业集团股份有限公司 | 2023-06-08 | — | — | WO | disclosed |