Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 4/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.50 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.50 |
| ▸ | MAPT | P10636 | 2/20 | 0.50 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.50 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.50 |
| ▸ | SLC6A2 | P23975 | 3/20 | 0.44 |
| ▸ | SLC6A4 | P31645 | 3/20 | 0.44 |
| ▸ | TAAR1 | Q96RJ0 | 5/20 | 0.43 |
| ▸ | HTR2A | P28223 | 2/20 | 0.43 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.37 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.37 |
| ▸ | MAOA | P21397 | 2/20 | 0.36 |
| ▸ | MAOB | P27338 | 2/20 | 0.36 |
| ▸ | HRH1 | P35367 | 1/20 | 0.36 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL7093914 | 0.90 | TAAR1 (0.52) | CYP3A4CYP1A2CYP2C9CYP2C19CYP2D6 | |
| SCHEMBL7094120 | 0.86 | SLC6A2 (0.41) | CYP3A4TDP1MAPTKDM4ESLC6A2 | |
| SCHEMBL7093907 | 0.84 | HTR2A (0.56) | ALDH1A1L3MBTL1TDP1SLC6A2SLC6A4 | |
| SCHEMBL7093892 | 0.82 | SLC6A2 (0.45) | CYP3A4SLC6A2SLC6A4TAAR1HTR2A | |
| SCHEMBL7092760 | 0.76 | HTR2A (0.43) | ALDH1A1SLC6A2SLC6A4TAAR1HTR2A | |
| SCHEMBL7093897 | 0.74 | IDO1 (0.46) | SLC6A2SLC6A4TAAR1HTR2A | |
| SCHEMBL7094983 | 0.74 | NR3C2 (0.57) | ALDH1A1CYP1A2MAPTCYP2C9KDM4E | |
| SCHEMBL9107423 | 0.73 | CYP3A4 (0.54) | CYP3A4ALDH1A1L3MBTL1TDP1CYP1A2 | |
| SCHEMBL18979911 | 0.72 | ALDH1A1 (0.58) | CYP3A4ALDH1A1L3MBTL1TDP1CYP1A2 | |
| SCHEMBL157492 | 0.72 | ALDH1A1 (0.58) | CYP3A4ALDH1A1L3MBTL1TDP1CYP1A2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2003082777-A2 | NOVEL GLUCOCORTICOID RECEPTOR LIGANDS | KARO BIO AB (SE) | 2003-10-09 | — | — | WO | claimed |
| WO-2003082777-A2 | NOVEL GLUCOCORTICOID RECEPTOR LIGANDS | KARO BIO AB (SE) | 2003-10-09 | — | — | WO | disclosed |