Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM1A | O60341 | 7/20 | 0.40 |
| ▸ | MAOB | P27338 | 4/20 | 0.40 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.40 |
| ▸ | RCOR1 | Q9UKL0 | 2/20 | 0.40 |
| ▸ | KDM1B | Q8NB78 | 1/20 | 0.40 |
| ▸ | HTR2C | P28335 | 2/20 | 0.33 |
| ▸ | HTR2B | P41595 | 2/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | PKM | P14618 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.33 |
| ▸ | THPO | P40225 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL20177590 | 0.86 | CYP1A2 (0.33) | KDM1AMAOBHTR2CHTR2BCYP1A2 | |
| SCHEMBL20177889 | 0.80 | KDM1A (0.48) | KDM1AKDM1BFPR2 | |
| SCHEMBL20177610 | 0.69 | BRD4 (0.41) | CYP1A2CYP3A4PKMTSHRNFKB1 | |
| SCHEMBL20177535 | 0.69 | BRD4 (0.41) | CYP1A2CYP3A4PKMTSHRNFKB1 | |
| SCHEMBL20177614 | 0.68 | CTSL (0.42) | KDM1AMAOBRCOR1KDM1BTSHR | |
| SCHEMBL20177495 | 0.60 | USP2 (0.40) | KDM1AMAOBKCNH2RCOR1KDM1B | |
| SCHEMBL5454146 | 0.60 | KDM1A (0.50) | KDM1AMAOBKCNH2RCOR1KDM1B | |
| SCHEMBL5454149 | 0.60 | KDM1A (0.50) | KDM1AMAOBKCNH2RCOR1KDM1B | |
| SCHEMBL5454142 | 0.60 | KDM1A (0.50) | KDM1AMAOBKCNH2RCOR1KDM1B | |
| SCHEMBL16019172 | 0.60 | KDM1A (1.00) | KDM1AMAOBKCNH2RCOR1KDM1B |
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 |