Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK2 | O75116 | 2/20 | 0.61 |
| ▸ | NOD2 | Q9HC29 | 1/20 | 0.60 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.59 |
| ▸ | LMNA | P02545 | 1/20 | 0.59 |
| ▸ | NLRP3 | Q96P20 | 2/20 | 0.57 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.56 |
| ▸ | MAPT | P10636 | 4/20 | 0.56 |
| ▸ | RAB9A | P51151 | 1/20 | 0.56 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.56 |
| ▸ | MEN1 | O00255 | 2/20 | 0.56 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.56 |
| ▸ | NOTUM | Q6P988 | 2/20 | 0.56 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.54 |
| ▸ | PRMT3 | O60678 | 1/20 | 0.54 |
| ▸ | IMPDH2 | P12268 | 1/20 | 0.53 |
| ▸ | CA12 | O43570 | 1/20 | 0.53 |
| ▸ | CA1 | P00915 | 1/20 | 0.53 |
| ▸ | CA2 | P00918 | 1/20 | 0.53 |
| ▸ | CA9 | Q16790 | 1/20 | 0.53 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.53 |
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 | |
|---|---|---|---|---|
| SCHEMBL14124407 | 0.87 | ROCK2 (0.66) | ROCK2LMNAMEN1KMT2ANOTUM | |
| SCHEMBL19860042 | 0.86 | MEN1 (0.60) | ROCK2LMNAALDH1A1MEN1KMT2A | |
| SCHEMBL3593343 | 0.85 | ACHE (0.61) | ROCK2NOTUMPRMT3IMPDH2 | |
| SCHEMBL19860065 | 0.85 | ROCK1 (0.61) | ROCK2SMN1; SMN2ALDH1A1HDAC1NOTUM | |
| SCHEMBL24735962 | 0.85 | IMPDH2 (0.69) | ROCK2ALDH1A1RAB9ANOTUMPRMT3 | |
| SCHEMBL24736064 | 0.83 | NOTUM (0.52) | ROCK2SMN1; SMN2LMNANLRP3ALDH1A1 | |
| SCHEMBL24736550 | 0.83 | NOTUM (0.52) | ROCK2SMN1; SMN2LMNANLRP3MEN1 | |
| SCHEMBL24736559 | 0.83 | IMPDH2 (0.51) | ROCK2NOTUMPRMT3IMPDH2ROCK1 | |
| SCHEMBL24736084 | 0.83 | ROCK1 (0.61) | ROCK2NLRP3NOTUMPRMT3IMPDH2 | |
| SCHEMBL2162460 | 0.82 | KMT2A (0.67) | ROCK2SMN1; SMN2ALDH1A1MAPTRAB9A |
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-9890123-B2 | 6-aminoisoquinoline compounds | AERIE PHARMACEUTICALS, INC. (US) | 2018-02-13 | — | — | US | disclosed |