Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR6 | P50406 | 3/20 | 0.45 |
| ▸ | CHRM3 | P20309 | 3/20 | 0.42 |
| ▸ | KDM1A | O60341 | 7/20 | 0.41 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.41 |
| ▸ | RCOR1 | Q9UKL0 | 1/20 | 0.41 |
| ▸ | SLC6A2 | P23975 | 3/20 | 0.40 |
| ▸ | SLC6A4 | P31645 | 3/20 | 0.40 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.37 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.37 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.37 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.37 |
| ▸ | STAT3 | P40763 | 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 | |
|---|---|---|---|---|
| SCHEMBL8790104 | 1.00 | HTR6 (0.45) | HTR6CHRM3KDM1AKCNH2RCOR1 | |
| SCHEMBL8790095 | 1.00 | HTR6 (0.45) | HTR6CHRM3KDM1AKCNH2RCOR1 | |
| SCHEMBL3387608 | 0.92 | KDM1A (0.43) | HTR6KDM1AKCNH2CYP2D6CYP1A2 | |
| SCHEMBL7360511 | 0.91 | HTR6 (0.50) | HTR6KDM1AKCNH2SLC6A2SLC6A4 | |
| Tert-Butyl Formate SCHEMBL28106797 | 0.89 | HTR6 (0.41) | HTR6CHRM3KDM1AKCNH2RCOR1 | |
| Tert-Butyl Formate SCHEMBL28106799 | 0.89 | HTR6 (0.41) | HTR6CHRM3KDM1AKCNH2RCOR1 | |
| SCHEMBL4719653 | 0.88 | HTR6 (0.40) | HTR6CYP2D6CYP1A2STAT3 | |
| SCHEMBL27293205 | 0.83 | CA1 (0.40) | HTR6CHRM3SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL7032005 | 0.82 | CYP2D6 (0.45) | HTR6CYP2D6CYP1A2STAT3 | |
| SCHEMBL26655167 | 0.82 | CYP2D6 (0.45) | HTR6CYP2D6CYP1A2STAT3 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3189038-A1 | INHIBITORS OF LYSINE SPECIFIC DEMETHYLASE-1 | Celgene Quanticel Research, Inc. (US) | 2017-07-12 | — | — | EP | disclosed |
| EP-3080100-A1 | INHIBITORS OF LYSINE SPECIFIC DEMETHYLASE-1 | Celgene Quanticel Research, Inc. (US) | 2016-10-19 | — | — | EP | disclosed |
| WO-2016037005-A1 | INHIBITORS OF LYSINE SPECIFIC DEMETHYLASE-1 | Quanticel Pharmaceuticals, Inc. (US) | 2016-03-10 | — | — | WO | disclosed |
| WO-2015089192-A1 | INHIBITORS OF LYSINE SPECIFIC DEMETHYLASE-1 | Quanticel Pharmaceuticals, Inc. (US) | 2015-06-18 | — | — | WO | disclosed |