Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK2 | O75116 | 7/20 | 0.41 |
| ▸ | ROCK1 | Q13464 | 6/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 2/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | EPHX2 | P34913 | 2/20 | 0.38 |
| ▸ | ACACB | O00763 | 2/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | CYP2J2 | P51589 | 1/20 | 0.37 |
| ▸ | CNR2 | P34972 | 1/20 | 0.37 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.36 |
| ▸ | KLKB1 | P03952 | 1/20 | 0.36 |
| ▸ | MAP4K1 | Q92918 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | SMYD3 | Q9H7B4 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL2714948 | 0.92 | EPHX2 (0.46) | ROCK2ROCK1CYP3A4CYP2D6LMNA | |
| SCHEMBL4550761 | 0.86 | EPHX2 (0.43) | ROCK2ROCK1CYP3A4CYP2D6LMNA | |
| SCHEMBL2715784 | 0.86 | ACACB (0.49) | ROCK2CYP3A4LMNAMEN1MAPK1 | |
| SCHEMBL2717912 | 0.85 | MAPT (0.51) | LMNAMEN1MAPK1KMT2AEPHX2 | |
| SCHEMBL2718773 | 0.84 | ACACB (0.42) | ROCK2LMNAMEN1MAPK1KMT2A | |
| SCHEMBL2714363 | 0.83 | GSK3B (0.49) | ACACBMAPT | |
| SCHEMBL27931836 | 0.81 | EPHX2 (0.46) | ROCK2ROCK1LMNAMEN1MAPK1 | |
| SCHEMBL27913842 | 0.80 | MAPK1 (0.45) | ROCK2ROCK1LMNAMEN1MAPK1 | |
| Tert-Butylamine SCHEMBL27931922 | 0.80 | EPHX2 (0.46) | ROCK2ROCK1LMNAMEN1MAPK1 | |
| SCHEMBL2718381 | 0.78 | EPHX2 (0.43) | MAPK1EPHX2CYP2C9CYP2C19CYP2J2 |
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-2012053186-A1 | ARYLAMIDE DERIVATIVES AS TTX-S BLOCKERS | RAQUALIA PHARMA INC. (JP) | 2012-04-26 | — | — | WO | disclosed |