Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2A | P28223 | 4/20 | 0.50 |
| ▸ | HTR2C | P28335 | 2/20 | 0.50 |
| ▸ | HTR7 | P34969 | 2/20 | 0.50 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.48 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.48 |
| ▸ | GMNN | O75496 | 1/20 | 0.48 |
| ▸ | TP53 | P04637 | 1/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.48 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.48 |
| ▸ | TSHR | P16473 | 1/20 | 0.48 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.48 |
| ▸ | THPO | P40225 | 1/20 | 0.48 |
| ▸ | MTOR | P42345 | 1/20 | 0.48 |
| ▸ | BLM | P54132 | 1/20 | 0.48 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.48 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.48 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.48 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.44 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL10459141 | 0.85 | HTR2A (0.53) | HTR2AHTR2CHTR7KCNH2HRH3 | |
| SCHEMBL10560025 | 0.81 | DRD2 (0.69) | HTR2AHTR7HRH3SLC6A2SLC6A4 | |
| SCHEMBL10720179 | 0.80 | ALDH1A1 (0.56) | HTR2AHTR2CHTR7KCNH2GMNN | |
| SCHEMBL10460414 | 0.79 | HTR2A (0.50) | HTR2AHTR2CHTR7CYP2D6HTR6 | |
| SCHEMBL10567673 | 0.79 | HTR2A (0.52) | HTR2AHTR2CHTR7CYP2D6SLC6A2 | |
| SCHEMBL7280401 | 0.78 | SLC18A3 (0.58) | HTR2AHTR2CCYP3A4TSHRCYP2D6 | |
| Oxalic Acid SCHEMBL10557086 | 0.78 | CYP2D6 (0.53) | HTR2AHTR2CHTR7KCNH2HRH3 | |
| Fumaric Acid SCHEMBL10461609 | 0.76 | HTR2A (0.58) | HTR2AHTR7HRH3SLC6A2SLC6A4 | |
| Maleic Acid SCHEMBL10719497 | 0.76 | ALDH1A1 (0.53) | HTR2AHTR2CKCNH2BLMCYP2D6 | |
| Fumaric Acid SCHEMBL10719500 | 0.76 | ALDH1A1 (0.53) | HTR2AHTR2CKCNH2BLMCYP2D6 |
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-5677168-A | Enantiomeric separation of (RS)1-(4-chlorophenyl)-2-chloroethanol by lipase catalyzed hydrolysis of its acetate | SYNTHELABO (FR) | 1997-10-14 | — | — | US | disclosed |