Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM1A | O60341 | 2/20 | 0.44 |
| ▸ | KDM1B | Q8NB78 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | HTR2A | P28223 | 1/20 | 0.35 |
| ▸ | HTR2C | P28335 | 1/20 | 0.35 |
| ▸ | HTR2B | P41595 | 1/20 | 0.35 |
| ▸ | TRPM5 | Q9NZQ8 | 1/20 | 0.35 |
| ▸ | CHRNB2 | P17787 | 2/20 | 0.33 |
| ▸ | CHRNA4 | P43681 | 2/20 | 0.33 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.33 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.31 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.31 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.31 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.31 |
| ▸ | IDO1 | P14902 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL20177579 | 0.81 | KDM1A (0.44) | KDM1AKDM1BALDH1A1HTR2AHTR2C | |
| SCHEMBL20177918 | 0.79 | HTR2C (0.40) | TDP1HTR2AHTR2CHTR2BCHRNB2 | |
| SCHEMBL20177721 | 0.73 | — | — | |
| SCHEMBL20177736 | 0.69 | KDM1A (0.34) | KDM1AKDM1BTRPM5 | |
| SCHEMBL31342544 | 0.69 | KDM1A (0.49) | KDM1AKDM1BHTR2AHTR2CHTR2B | |
| SCHEMBL20177607 | 0.67 | KDM1A (0.31) | KDM1A | |
| SCHEMBL20177917 | 0.67 | KDM1A (0.31) | KDM1A | |
| SCHEMBL29869025 | 0.66 | MTNR1A (0.46) | ALDH1A1CHRNB2CHRNA4CHRNB4CHRNA3 | |
| SCHEMBL20177904 | 0.64 | FPR2 (0.39) | ALDH1A1HTR2AHTR2CHTR2BCHRNB2 | |
| SCHEMBL20177951 | 0.63 | HTR3A (0.47) | ALDH1A1CYP2D6SLC6A2SLC6A4SLC6A3 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2018092916-A1 | NITROGEN-CONTAINING POLYCYCLIC HETEROCYCLIC DERIVATIVE | 宇部興産株式会社 | 2018-05-24 | — | — | WO | disclosed |