Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH1 | P35367 | 2/20 | 0.48 |
| ▸ | IDO1 | P14902 | 7/20 | 0.42 |
| ▸ | TDO2 | P48775 | 7/20 | 0.42 |
| ▸ | HTR2A | P28223 | 2/20 | 0.41 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.41 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | IDO2 | Q6ZQW0 | 2/20 | 0.39 |
| ▸ | MTOR | P42345 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | GRM7 | Q14831 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.38 |
| ▸ | KIF11 | P52732 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL11597642 | 0.80 | HTT (0.47) | HRH1HTR2ASLC6A4HTTMTOR | |
| SCHEMBL9291837 | 0.75 | HTT (0.50) | HRH1HTR2ASLC6A4HTTCYP1A2 | |
| Bromomethane SCHEMBL5569428 | 0.72 | HTT (0.47) | HRH1HTR2ASLC6A4HTTCYP1A2 | |
| SCHEMBL7978019 | 0.72 | TAAR1 (0.42) | HRH1IDO1TDO2HTR2ATAAR1 | |
| SCHEMBL7978015 | 0.72 | SIGMAR1 (0.67) | HRH1HTR2ASLC6A4HTTCYP1A2 | |
| SCHEMBL4706959 | 0.69 | CYP3A4 (0.66) | HRH1TAAR1SLC6A4HTTMTOR | |
| SCHEMBL1132349 | 0.69 | CYP3A4 (0.66) | HRH1TAAR1SLC6A4HTTMTOR | |
| SCHEMBL3927833 | 0.69 | CYP3A4 (0.66) | HRH1TAAR1SLC6A4HTTMTOR | |
| SCHEMBL29047738 | 0.69 | KLK7 (0.46) | HTTCYP1A2CYP3A4CYP2D6 | |
| SCHEMBL2806899 | 0.69 | LMNA (0.46) | CYP1A2CYP2D6CYP2C9 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105517552-A | Imidazo[1,2-b]pyridazine-based compounds, compositions comprising them, and methods of their use | LEXICON PHARMACEUTICALS INC | 2016-04-20 | — | — | CN | disclosed |
| CN-105073119-A | Novel 11 beta-hydroxysteroid compounds for use in mitochondrial biogenesis and diseases associated with mitochondrial dysfunction or depletion | SPHAERA PHARMA PRIVATE LTD | 2015-11-18 | — | — | CN | disclosed |
| CN-104470523-A | Imidazo [1, 2 - b] pyridazine - based compounds, compositions comprising them, and uses thereof | LEXICON PHARMACEUTICALS INC | 2015-03-25 | — | — | CN | disclosed |
| CN-104220071-A | Inhibition of adaptor associated kinase 1 for the treatment of pain | LEXICON PHARMACEUTICALS INC | 2014-12-17 | — | — | CN | disclosed |