Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM1A | O60341 | 8/20 | 0.41 |
| ▸ | KDM1B | Q8NB78 | 2/20 | 0.41 |
| ▸ | ROCK2 | O75116 | 6/20 | 0.35 |
| ▸ | AKT1 | P31749 | 6/20 | 0.35 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.34 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.34 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.34 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.34 |
| ▸ | MAOB | P27338 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | DPP4 | P27487 | 1/20 | 0.33 |
| ▸ | HTR2A | P28223 | 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 | |
|---|---|---|---|---|
| SCHEMBL20438928 | 0.83 | KDM1A (0.51) | KDM1AKDM1BROCK2AKT1KCNH2 | |
| SCHEMBL20439008 | 0.83 | SLC6A2 (0.37) | KDM1AKDM1BKCNH2SLC6A2SLC6A4 | |
| SCHEMBL15054723 | 0.77 | KDM1A (0.55) | KDM1AAKT1KCNH2SLC6A2SLC6A4 | |
| SCHEMBL15054722 | 0.77 | KDM1A (0.55) | KDM1AAKT1KCNH2SLC6A2SLC6A4 | |
| SCHEMBL16163347 | 0.77 | KDM1A (0.55) | KDM1AAKT1KCNH2SLC6A2SLC6A4 | |
| SCHEMBL16163349 | 0.77 | KDM1A (0.55) | KDM1AAKT1KCNH2SLC6A2SLC6A4 | |
| SCHEMBL15054721 | 0.77 | KDM1A (0.55) | KDM1AAKT1KCNH2SLC6A2SLC6A4 | |
| SCHEMBL15054204 | 0.76 | HTR2A (0.45) | AKT1HTR2A | |
| SCHEMBL15054201 | 0.76 | HTR2A (0.45) | AKT1HTR2A | |
| SCHEMBL16163202 | 0.76 | HTR2A (0.45) | AKT1HTR2A |
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-2018137555-A1 | POLYFLUORO-SUBSTITUTED AROMATIC HETEROCYCLIC COMPOUND DERIVATIVE, PHARMACEUTICAL COMPOSITION CONTAINING SAME, AND APPLICATIONS THEREOF | 浙江大学 | 2018-08-02 | — | — | WO | disclosed |