Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK2 | O75116 | 4/20 | 0.50 |
| ▸ | OGA | O60502 | 1/20 | 0.48 |
| ▸ | HTR2C | P28335 | 1/20 | 0.48 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.46 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.44 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | HRH1 | P35367 | 1/20 | 0.42 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | CASP1 | P29466 | 3/20 | 0.41 |
| ▸ | ACHE | P22303 | 2/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.41 |
| ▸ | TSHR | P16473 | 2/20 | 0.41 |
| ▸ | CASP7 | P55210 | 2/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL6017462 | 0.98 | ROCK2 (0.49) | ROCK2OGAHTR2CHRH4TAAR1 | |
| SCHEMBL30945067 | 0.94 | ROCK2 (0.58) | ROCK2OGAHTR2CHRH4HRH1 | |
| SCHEMBL9277647 | 0.87 | OGA (0.50) | ROCK2OGAHRH4ALDH1A1HRH1 | |
| SCHEMBL3589539 | 0.85 | OGA (0.49) | ROCK2OGAHTR2CHRH4ALDH1A1 | |
| SCHEMBL1360345 | 0.83 | PIK3CA (0.58) | OGAALDH1A1KDM4EPOLBKMT2A | |
| SCHEMBL2017303 | 0.80 | LCK (0.51) | OGAHTR2CHRH4ALDH1A1KMT2A | |
| SCHEMBL29652339 | 0.78 | CDK8 (0.54) | ROCK2ROCK1 | |
| SCHEMBL30945071 | 0.77 | LMNA (0.50) | OGAALDH1A1KDM4ETSHRHSD17B10 | |
| SCHEMBL7269241 | 0.77 | ROCK2 (0.50) | ROCK2TAAR1ADRB1ALDH1A1KDM4E | |
| SCHEMBL17461385 | 0.76 | ADRB1 (0.43) | ROCK2HTR2CTAAR1ADRB1ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-118146226-A | Pyrrolo [2,3-d ] pyrimidine compound with nitrogen-containing heterocyclic structure, and preparation method and application thereof | 贵州大学 | 2024-06-07 | — | — | CN | disclosed |