Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK2 | O75116 | 8/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | TMEM97 | Q5BJF2 | 2/20 | 0.39 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.39 |
| ▸ | AKT2 | P31751 | 2/20 | 0.39 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.39 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | NAMPT | P43490 | 1/20 | 0.39 |
| ▸ | GRK5 | P34947 | 1/20 | 0.38 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.38 |
| ▸ | SLC2A1 | P11166 | 1/20 | 0.38 |
| ▸ | PAK4 | O96013 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL6985636 | 1.00 | ROCK2 (0.42) | ROCK2CYP3A4CYP2C19TMEM97SIGMAR1 | |
| SCHEMBL436993 | 0.95 | TMEM97 (0.42) | ROCK2CYP3A4CYP2C19TMEM97SIGMAR1 | |
| SCHEMBL436992 | 0.95 | TMEM97 (0.42) | ROCK2CYP3A4CYP2C19TMEM97SIGMAR1 | |
| SCHEMBL8177015 | 0.94 | NAAA (0.42) | ROCK2CYP3A4CYP2C19TMEM97SIGMAR1 | |
| SCHEMBL8177012 | 0.94 | NAAA (0.42) | ROCK2CYP3A4CYP2C19TMEM97SIGMAR1 | |
| SCHEMBL6980870 | 0.94 | SIGMAR1 (0.45) | TMEM97SIGMAR1NAMPTGRK5 | |
| SCHEMBL6980866 | 0.94 | SIGMAR1 (0.45) | TMEM97SIGMAR1NAMPTGRK5 | |
| SCHEMBL8192360 | 0.93 | NAAA (0.43) | ROCK2CYP3A4CYP2C19TMEM97SIGMAR1 | |
| SCHEMBL1116349 | 0.93 | NAAA (0.43) | ROCK2CYP3A4CYP2C19TMEM97SIGMAR1 | |
| SCHEMBL8192365 | 0.93 | NAAA (0.43) | ROCK2CYP3A4CYP2C19TMEM97SIGMAR1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1071665-B1 | SUBSTITUTED INDOLINONES HAVING AN INHIBITING EFFECT ON KINASES AND CYCLINE/CDK COMPLEXES | BOEHRINGER INGELHEIM PHARMA (DE) | 2003-10-01 | — | — | EP | disclosed |
| US-6169106-B1 | ANTITUMOUR AGENTS | BOEHRINGER INGELHEIM PHARMA KG (DE) | 2001-01-02 | — | — | US | disclosed |