Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | ROCK1 | Q13464 | 8/20 | 0.35 |
| ▸ | MRGPRX1 | Q96LB2 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.35 |
| ▸ | CNR2 | P34972 | 1/20 | 0.34 |
| ▸ | KCNMA1 | Q12791 | 1/20 | 0.34 |
| ▸ | ROCK2 | O75116 | 2/20 | 0.34 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.34 |
| ▸ | FSCN1 | Q16658 | 1/20 | 0.33 |
| ▸ | GRK2 | P25098 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL30163060 | 1.00 | NPC1 (0.37) | NPC1HPGDRAB9ASMN1; SMN2ROCK1 | |
| SCHEMBL29218173 | 0.81 | ROCK1 (0.36) | NPC1HPGDRAB9AROCK1TRPV1 | |
| SCHEMBL30163037 | 0.81 | ROCK1 (0.36) | NPC1HPGDRAB9AROCK1TRPV1 | |
| SCHEMBL29218216 | 0.80 | MRGPRX1 (0.34) | HPGDMRGPRX1KDM4ECNR2FSCN1 | |
| SCHEMBL30163120 | 0.80 | MRGPRX1 (0.34) | HPGDMRGPRX1KDM4ECNR2FSCN1 | |
| SCHEMBL24934173 | 0.78 | ROCK1 (0.39) | NPC1HPGDRAB9ASMN1; SMN2ROCK1 | |
| SCHEMBL29218332 | 0.77 | CHRNA7 (0.41) | NPC1HPGDRAB9ASMN1; SMN2ROCK1 | |
| SCHEMBL30163079 | 0.77 | CHRNA7 (0.41) | NPC1HPGDRAB9ASMN1; SMN2ROCK1 | |
| SCHEMBL21348867 | 0.77 | THRB (0.42) | NPC1HPGDRAB9ASMN1; SMN2ROCK1 | |
| SCHEMBL30162925 | 0.74 | ROCK1 (0.40) | ROCK1 |
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-118055926-A | ROCK2 inhibitors and uses thereof | 哈佛大学的校长及成员们 | 2024-05-17 | — | — | CN | disclosed |