Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK2 | O75116 | 2/20 | 0.48 |
| ▸ | ROCK1 | Q13464 | 2/20 | 0.48 |
| ▸ | AR | P10275 | 4/20 | 0.43 |
| ▸ | RAB9A | P51151 | 4/20 | 0.43 |
| ▸ | NPC1 | O15118 | 3/20 | 0.43 |
| ▸ | KDM1A | O60341 | 1/20 | 0.42 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.42 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | KLK7 | P49862 | 1/20 | 0.41 |
| ▸ | NFKB2 | Q00653 | 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 | |
|---|---|---|---|---|
| SCHEMBL6845275 | 0.84 | ROCK2 (0.47) | ROCK2ROCK1RAB9ANPC1KDM4E | |
| SCHEMBL6845267 | 0.81 | ROCK2 (0.71) | ROCK2ROCK1RAB9ANPC1KDM4E | |
| SCHEMBL6845277 | 0.81 | ROCK2 (0.44) | ROCK2ROCK1RAB9ANPC1ALDH1A1 | |
| SCHEMBL6845271 | 0.81 | ROCK2 (0.44) | ROCK2ROCK1RAB9ANPC1KDM4E | |
| SCHEMBL24150224 | 0.78 | JAK2 (0.60) | ARRAB9ANPC1SMN1; SMN2HPGD | |
| SCHEMBL25306343 | 0.77 | CA12 (0.53) | ROCK2ROCK1ARRAB9ANPC1 | |
| SCHEMBL15238556 | 0.75 | NPC1 (0.63) | RAB9ANPC1KDM4ESMN1; SMN2ALDH1A1 | |
| SCHEMBL16303150 | 0.73 | AR (0.52) | ARRAB9ANPC1KDM4EL3MBTL1 | |
| SCHEMBL73368 | 0.72 | KDM4E (0.54) | ARRAB9ANPC1KDM4ESMN1; SMN2 | |
| SCHEMBL21146978 | 0.72 | HDAC1 (0.65) | HDAC1HDAC6SMN1; SMN2ALDH1A1CA12 |
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 |
|---|---|---|---|---|---|---|---|
| US-7867999-B1 | Hydroxyamino- and amino-substituted pyridine analogs for treating rho kinase-mediated diseases and conditions | ALCON RESEARCH, LTD. (US) | 2011-01-11 | — | — | US | disclosed |