Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK2 | O75116 | 9/20 | 0.42 |
| ▸ | RARA | P10276 | 3/20 | 0.40 |
| ▸ | RARB | P10826 | 3/20 | 0.40 |
| ▸ | RARG | P13631 | 3/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.40 |
| ▸ | MEN1 | O00255 | 2/20 | 0.40 |
| ▸ | CYP26A1 | O43174 | 2/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | PGR | P06401 | 1/20 | 0.40 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.40 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.40 |
| ▸ | BLVRB | P30043 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 3/20 | 0.39 |
| ▸ | RAB9A | P51151 | 2/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL7661417 | 0.86 | ROCK2 (0.44) | ROCK2RARARARBRARGCYP3A4 | |
| SCHEMBL7652728 | 0.86 | L3MBTL3 (0.41) | ROCK2RARARARBRARGCYP3A4 | |
| SCHEMBL7993332 | 0.85 | ROCK2 (0.45) | ROCK2RARARARBRARGCYP3A4 | |
| SCHEMBL7656209 | 0.84 | MAPT (0.47) | ROCK2CYP3A4MEN1KMT2ANPC1 | |
| SCHEMBL7797951 | 0.82 | ROCK2 (0.51) | ROCK2CYP3A4KMT2AALDH1A1NPC1 | |
| SCHEMBL7650151 | 0.82 | DDR1 (0.40) | ROCK2RARARARBRARGCYP3A4 | |
| SCHEMBL7662369 | 0.81 | ROCK2 (0.49) | ROCK2CYP3A4ALDH1A1NPC1RAB9A | |
| SCHEMBL7661169 | 0.81 | POLB (0.35) | RARARARBRARGCYP3A4MEN1 | |
| SCHEMBL7653787 | 0.81 | ROCK2 (0.43) | ROCK2RARARARBRARGCYP3A4 | |
| SCHEMBL7658055 | 0.80 | MAPT (0.45) | ROCK2CYP3A4MEN1KMT2ATSHR |
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-6492378-B1 | Substituted isoquinoline derivatives and their use as anticonvulsivants | SMITHKLINE BEECHAM P.L.C. (GB) | 2002-12-10 | — | — | US | disclosed |