Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR2 | Q92731 | 1/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.34 |
| ▸ | APP | P05067 | 2/20 | 0.34 |
| ▸ | TMEM97 | Q5BJF2 | 1/20 | 0.34 |
| ▸ | FASN | P49327 | 1/20 | 0.34 |
| ▸ | DGAT1 | O75907 | 4/20 | 0.33 |
| ▸ | S1PR1 | P21453 | 2/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | S1PR5 | Q9H228 | 1/20 | 0.33 |
| ▸ | SOAT1 | P35610 | 3/20 | 0.33 |
| ▸ | CSNK1A1 | P48729 | 1/20 | 0.33 |
| ▸ | CSNK1D | P48730 | 1/20 | 0.33 |
| ▸ | RPS6KA3 | P51812 | 1/20 | 0.33 |
| ▸ | TNKS | O95271 | 3/20 | 0.32 |
| ▸ | PARP1 | P09874 | 3/20 | 0.32 |
| ▸ | TNKS2 | Q9H2K2 | 3/20 | 0.32 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.32 |
| ▸ | FAAH | O00519 | 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 | |
|---|---|---|---|---|
| SCHEMBL802765 | 0.98 | ESR2 (0.46) | ESR2CYP3A4CYP2C9APPTMEM97 | |
| SCHEMBL12658807 | 0.97 | ESR2 (0.45) | ESR2CYP3A4CYP2C9APPTMEM97 | |
| SCHEMBL26167206 | 0.92 | CYP3A4 (0.38) | ESR2CYP3A4CYP2C9APPTMEM97 | |
| SCHEMBL4549771 | 0.90 | CYP3A4 (0.41) | ESR2CYP3A4CYP2C9APPFASN | |
| SCHEMBL4549765 | 0.88 | ESR2 (0.47) | ESR2CYP3A4CYP2C9APPTMEM97 | |
| SCHEMBL26672922 | 0.88 | CYP3A4 (0.36) | ESR2CYP3A4CYP2C9APPTMEM97 | |
| SCHEMBL803146 | 0.87 | ESR2 (0.41) | ESR2CYP3A4CYP2C9APPFASN | |
| SCHEMBL16769002 | 0.86 | CYP3A4 (0.42) | ESR2CYP3A4CYP2C9APPS1PR1 | |
| SCHEMBL16768999 | 0.86 | CYP3A4 (0.45) | CYP3A4CYP2C9APPDGAT1S1PR1 | |
| SCHEMBL803232 | 0.85 | ESR2 (0.42) | ESR2CYP3A4CYP2C9APPTMEM97 |
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-20140028964-A1 | LIQUID-CRYSTALLINE MEDIUM | MERCK PATENT GMBH (DE) | 2014-01-30 | — | — | US | disclosed |