Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.42 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.42 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.42 |
| ▸ | MAOA | P21397 | 1/20 | 0.42 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.42 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.42 |
| ▸ | HTR2B | P41595 | 1/20 | 0.42 |
| ▸ | SHBG | P04278 | 1/20 | 0.42 |
| ▸ | ACHE | P22303 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 2/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.34 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.34 |
| ▸ | ATM | Q13315 | 1/20 | 0.34 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.33 |
| ▸ | PTPN11 | Q06124 | 1/20 | 0.33 |
| ▸ | NUAK1 | O60285 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL17328717 | 0.87 | ACHE (0.43) | CYP3A4CHRM1ALOX15MAOATBXA2R | |
| SCHEMBL210420 | 0.83 | CYP3A4 (0.44) | CYP3A4CHRM1ALOX15MAOATBXA2R | |
| SCHEMBL15449429 | 0.81 | SHBG (0.63) | CYP3A4CHRM1ALOX15MAOATBXA2R | |
| SCHEMBL31553268 | 0.81 | CYP3A4 (0.42) | CYP3A4CHRM1ALOX15MAOATBXA2R | |
| SCHEMBL12964339 | 0.81 | CYP3A4 (0.42) | CYP3A4CHRM1ALOX15MAOATBXA2R | |
| Methane SCHEMBL2220977 | 0.79 | SHBG (0.61) | CYP3A4CHRM1ALOX15MAOATBXA2R | |
| Methane SCHEMBL27819850 | 0.79 | SHBG (0.61) | CYP3A4CHRM1ALOX15MAOATBXA2R | |
| SCHEMBL30425753 | 0.78 | SHBG (0.39) | SHBGACHEALDH1A1SMN1; SMN2TDP1 | |
| SCHEMBL357123 | 0.78 | SHBG (0.39) | SHBGACHEALDH1A1SMN1; SMN2TDP1 | |
| SCHEMBL24373534 | 0.77 | CYP3A4 (0.62) | CYP3A4CHRM1ALOX15MAOATBXA2R |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2231515-B1 | PROCESS FOR PRODUCING CARBON | SUMITOMO CHEMICAL CO (JP) | 2012-05-16 | — | — | EP | disclosed |
| US-20100316555-A1 | PROCESS FOR PRODUCING CARBON | Sumitomt Chemical Company, Limited (JP) | 2010-12-16 | — | — | US | disclosed |
| EP-1414455-B1 | ISOQUINOLINE INHIBITORS OF P38 | VERTEX PHARMA (US) | 2008-11-26 | — | — | EP | disclosed |