Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BTK | Q06187 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.35 |
| ▸ | HTR3A | P46098 | 1/20 | 0.34 |
| ▸ | CCNK | O75909 | 2/20 | 0.34 |
| ▸ | CDK12 | Q9NYV4 | 2/20 | 0.34 |
| ▸ | PARP1 | P09874 | 1/20 | 0.34 |
| ▸ | USP25 | Q9UHP3 | 2/20 | 0.34 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL28834267 | 0.90 | ALDH1A1 (0.38) | ALDH1A1CYP3A4HPGDTSHRHSD17B10 | |
| Hydrochloric Acid SCHEMBL29862525 | 0.90 | ALDH1A1 (0.38) | ALDH1A1CYP3A4HPGDTSHRHSD17B10 | |
| SCHEMBL8844155 | 0.80 | HTR1A (0.39) | HTR3AUSP25 | |
| Methane SCHEMBL9482819 | 0.79 | HTR1A (0.38) | HTR3AUSP25 | |
| Hydrochloric Acid SCHEMBL29862710 | 0.72 | HTR2C (0.42) | — | |
| SCHEMBL30421966 | 0.72 | HTR3A (0.33) | BTKHTR3A | |
| SCHEMBL30673624 | 0.72 | HTR3A (0.38) | BTKHRH3HTR3A | |
| SCHEMBL9900635 | 0.72 | HTR3A (0.38) | BTKHRH3HTR3A | |
| SCHEMBL9901829 | 0.72 | HTR3A (0.38) | BTKHRH3HTR3A | |
| Hydrochloric Acid SCHEMBL28834107 | 0.71 | HRH3 (0.38) | HRH3 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-102065689-A | RHO-kinase inhibitor compounds | INSPIRE PHARMACEUTICALS INC | 2011-05-18 | — | — | CN | claimed |
| EP-2595665-A1 | BIFUNCTIONAL RHO KINASE INHIBITOR COMPOUNDS, COMPOSITION AND USE | Inspire Pharmaceuticals, Inc. (US) | 2013-05-29 | — | — | EP | disclosed |
| CN-103052406-A | Bifunctional rho kinase inhibitor compounds, compositions and uses | INSPIRE PHARMACEUTICALS INC | 2013-04-17 | — | — | CN | disclosed |
| WO-2012012282-A1 | BIFUNCTIONAL RHO KINASE INHIBITOR COMPOUNDS, COMPOSITION AND USE | INSPIRE PHARMACEUTICALS, INC. (US) | 2012-01-26 | — | — | WO | disclosed |
| CN-102065689-A | RHO-kinase inhibitor compounds | INSPIRE PHARMACEUTICALS INC | 2011-05-18 | — | — | CN | disclosed |