Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | HTR2C | P28335 | 6/20 | 0.35 |
| ▸ | HTR2A | P28223 | 5/20 | 0.35 |
| ▸ | HTR2B | P41595 | 5/20 | 0.35 |
| ▸ | TSHR | P16473 | 2/20 | 0.34 |
| ▸ | GSTO1 | P78417 | 1/20 | 0.34 |
| ▸ | AHR | P35869 | 2/20 | 0.31 |
| ▸ | TDP1 | Q9NUW8 | 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 | |
|---|---|---|---|---|
| SCHEMBL1023049 | 0.84 | HTR2A (0.50) | HTR2CHTR2AHTR2BTSHR | |
| SCHEMBL7054788 | 0.77 | CYP3A4 (0.43) | CYP3A4MAPK1TSHRGSTO1AHR | |
| SCHEMBL7052026 | 0.74 | TSHR (0.36) | CYP3A4MAPK1HTR2CHTR2AHTR2B | |
| SCHEMBL13264557 | 0.72 | OPRL1 (0.38) | HTR2CHTR2BTSHR | |
| SCHEMBL4311498 | 0.71 | HTR2A (0.49) | CYP3A4HTR2CHTR2AHTR2BTSHR | |
| SCHEMBL7049820 | 0.71 | TP53 (0.42) | CYP3A4HTR2CHTR2AHTR2BTSHR | |
| SCHEMBL4311675 | 0.71 | HTR2A (0.49) | CYP3A4HTR2CHTR2AHTR2BTSHR | |
| SCHEMBL1583058 | 0.71 | HTR2A (0.49) | CYP3A4HTR2CHTR2AHTR2BTSHR | |
| SCHEMBL938227 | 0.70 | TAAR1 (0.47) | HTR2CHTR2AHTR2BTSHR | |
| SCHEMBL4292448 | 0.70 | TAAR1 (0.47) | HTR2CHTR2AHTR2BTSHR |
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-0611826-B1 | Processes for production of optically active epoxides | DAICEL CHEM (JP) | 2003-05-02 | — | — | EP | disclosed |
| US-5672504-A | TREATING MIXED EPOXIDE ENANTIOMORPHS WITH MICROORGANISMS TO INCREASE CONCENTRATION OF OPTICALLY PURE S-ENANTIOMORPHS | DAICEL CHEMICAL INDUSTRIES, LTD. (JP) | 1997-09-30 | — | — | US | disclosed |
| EP-0611826-A2 | Processes for production of optically active epoxides | DAICEL CHEMICAL INDUSTRIES, LTD. (JP) | 1994-08-24 | — | — | EP | disclosed |