Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK2 | O75116 | 1/20 | 0.34 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.32 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.32 |
| ▸ | CA2 | P00918 | 1/20 | 0.32 |
| ▸ | FABP3 | P05413 | 2/20 | 0.31 |
| ▸ | FABP4 | P15090 | 2/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
| ▸ | FABP5 | Q01469 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL30317598 | 0.85 | ROCK2 (0.39) | ROCK2GABRA1GABRB2CA2FABP3 | |
| Hydrochloric Acid SCHEMBL21331878 | 0.84 | ROCK2 (0.38) | ROCK2GABRA1GABRB2CA2FABP3 | |
| SCHEMBL29382588 | 0.83 | ROCK2 (0.35) | ROCK2GABRA1GABRB2CA2FABP3 | |
| SCHEMBL1728407 | 0.81 | GABRA1 (0.31) | GABRA1GABRB2FABP3FABP4CYP1A2 | |
| SCHEMBL3432179 | 0.78 | ROCK2 (0.34) | ROCK2 | |
| SCHEMBL366622 | 0.74 | GABRA1 (0.37) | ROCK2GABRA1GABRB2CA2FABP3 | |
| SCHEMBL14929520 | 0.72 | ROCK2 (0.35) | ROCK2GABRA1GABRB2CA2FABP3 | |
| SCHEMBL16050488 | 0.72 | GABRA1 (0.52) | ROCK2GABRA1GABRB2CA2FABP3 | |
| SCHEMBL16050486 | 0.72 | FABP3 (0.41) | ROCK2GABRA1GABRB2CA2FABP3 | |
| SCHEMBL3684193 | 0.72 | GABRA1 (0.47) | GABRA1GABRB2CA2ALDH1A1CYP1A2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2011103460-A1 | FUSED TETRACYCLIC PYRIDO[4,3-B]INDOLE AND PYRIDO[3,4-B]ONDOLE DERIVATIVES AND METHODS OF USE | MEDIVATION TECHNOLOGIES, INC. (US) | 2011-08-25 | — | — | WO | disclosed |
| WO-2011103433-A1 | PYRIDO[4,3-B]INDOLE AND PYRIDO[3,4-B]INDOLE DERIVATIVES AND METHODS OF USE | MEDIVATION TECHNOLOGIES, INC. (US) | 2011-08-25 | — | — | WO | disclosed |