Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 2/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.31 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.31 |
| ▸ | HTR2B | P41595 | 1/20 | 0.31 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.31 |
| ▸ | HTR1A | P08908 | 1/20 | 0.30 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.30 |
| ▸ | BRD4 | O60885 | 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 | |
|---|---|---|---|---|
| SCHEMBL21772775 | 0.75 | CYP1A2 (0.36) | CYP2C19CYP1A2CYP2C9 | |
| SCHEMBL15275697 | 0.72 | SLC6A3 (0.35) | CYP2C19CYP1A2CYP2C9SLC6A2ADRA1A | |
| SCHEMBL15304893 | 0.72 | SLC6A3 (0.35) | CYP2C19CYP1A2CYP2C9SLC6A2ADRA1A | |
| SCHEMBL11260541 | 0.71 | TAAR1 (0.43) | CYP2C19SLC6A2ADRA1AHTR2BSLC6A3 | |
| SCHEMBL1740617 | 0.71 | TAAR1 (0.43) | CYP2C19SLC6A2ADRA1AHTR2BSLC6A3 | |
| SCHEMBL10385231 | 0.71 | TAAR1 (0.43) | CYP2C19SLC6A2ADRA1AHTR2BSLC6A3 | |
| SCHEMBL10385712 | 0.71 | TAAR1 (0.43) | CYP2C19SLC6A2ADRA1AHTR2BSLC6A3 | |
| SCHEMBL10385713 | 0.71 | TAAR1 (0.43) | CYP2C19SLC6A2ADRA1AHTR2BSLC6A3 | |
| SCHEMBL7262117 | 0.69 | USP1 (0.41) | CYP2C19CYP1A2CYP2C9SLC6A2ADRA1A | |
| SCHEMBL249472 | 0.69 | CYP2C19 (0.34) | CYP2C19CYP1A2CYP2C9SLC6A2ADRA1A |
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-0545168-B1 | Optically active polymer beads containing a filler | BAYER AG (DE) | 1996-04-24 | — | — | EP | disclosed |
| US-5348656-A | Adsorbants for optical resolution | BAYER AKTIENGESELLSCHAFT (DE) | 1994-09-20 | — | — | US | disclosed |
| EP-0545168-A1 | Optically active polymer beads containing a filler | BAYER AG (DE) | 1993-06-09 | — | — | EP | disclosed |