Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR2 | Q92731 | 8/20 | 0.47 |
| ▸ | ESR1 | P03372 | 6/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | USP30 | Q70CQ3 | 1/20 | 0.40 |
| ▸ | HTR2A | P28223 | 1/20 | 0.39 |
| ▸ | HTR2C | P28335 | 1/20 | 0.39 |
| ▸ | HTR2B | P41595 | 1/20 | 0.39 |
| ▸ | OPRL1 | P41146 | 4/20 | 0.39 |
| ▸ | GRIA4 | P48058 | 1/20 | 0.37 |
| ▸ | USP5 | P45974 | 1/20 | 0.36 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.36 |
| ▸ | CCR2 | P41597 | 1/20 | 0.35 |
| ▸ | HCRTR2 | O43614 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL9348230 | 1.00 | ESR2 (0.47) | ESR2ESR1CYP2C9CYP3A4CYP2D6 | |
| SCHEMBL8767491 | 0.97 | ESR2 (0.44) | ESR2ESR1CYP2C9CYP3A4CYP2D6 | |
| SCHEMBL8767483 | 0.97 | ESR2 (0.44) | ESR2ESR1CYP2C9CYP3A4CYP2D6 | |
| SCHEMBL18895834 | 0.95 | OPRL1 (0.43) | ESR2ESR1CYP2C9CYP3A4CYP2D6 | |
| SCHEMBL8767913 | 0.92 | ESR2 (0.41) | ESR2ESR1CYP2C9CYP3A4CYP2D6 | |
| SCHEMBL8768361 | 0.90 | ESR2 (0.42) | ESR2ESR1CYP2C9CYP3A4CYP2D6 | |
| SCHEMBL8768354 | 0.90 | ESR2 (0.42) | ESR2ESR1CYP2C9CYP3A4CYP2D6 | |
| SCHEMBL21581476 | 0.90 | ESR2 (0.41) | ESR2ESR1CYP2C9CYP3A4USP30 | |
| SCHEMBL8768472 | 0.89 | OPRL1 (0.39) | ESR2USP30HTR2AHTR2CHTR2B | |
| SCHEMBL8768466 | 0.89 | OPRL1 (0.39) | ESR2USP30HTR2AHTR2CHTR2B |
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-0441940-B1 | PHENYLCYCLOHEXANES AND LIQUID CRYSTAL MEDIUM | MERCK PATENT GMBH (DE) | 1994-08-03 | — | — | EP | disclosed |
| WO-1991003446-A1 | PHENYLCYCLOHEXANES AND LIQUID CRYSTAL MEDIUM | MERCK PATENT GESELLSCHAFT MIT BESCHÄNKTER HAFTUNG (DE) | 1991-03-21 | — | — | WO | disclosed |