Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPK1 | P28482 | 3/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.37 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 5/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 5/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.37 |
| ▸ | CLK4 | Q9HAZ1 | 4/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.37 |
| ▸ | TSHR | P16473 | 3/20 | 0.37 |
| ▸ | USP2 | O75604 | 2/20 | 0.37 |
| ▸ | MEN1 | O00255 | 3/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | PDE5A | O76074 | 1/20 | 0.35 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.35 |
| ▸ | TBXAS1 | P24557 | 1/20 | 0.35 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL17829809 | 0.90 | POLB (0.44) | MAPK1KDM4EKCNH2DYRK1ACYP1A2 | |
| SCHEMBL17833195 | 0.90 | CYP1A2 (0.39) | MAPK1CYP1A2CYP3A4CYP2C19ALDH1A1 | |
| SCHEMBL17829907 | 0.87 | CYP1A2 (0.37) | MAPK1KDM4ECYP1A2CYP3A4CYP2C19 | |
| SCHEMBL17833193 | 0.86 | SRC (0.38) | MAPK1CYP1A2CYP3A4CYP2C19ALDH1A1 | |
| SCHEMBL17833190 | 0.85 | CYP1A2 (0.48) | MAPK1CYP1A2CYP3A4CYP2C19ALDH1A1 | |
| SCHEMBL17829911 | 0.81 | CTNNB1 (0.39) | MAPK1KDM4ECYP1A2CYP3A4CYP2C19 | |
| SCHEMBL17833270 | 0.81 | CTNNB1 (0.34) | MAPK1KDM4ECYP1A2CYP3A4CYP2C19 | |
| SCHEMBL17833273 | 0.81 | HTR6 (0.36) | PDE5AP2RX7CDK9 | |
| SCHEMBL17829816 | 0.79 | CCR4 (0.44) | — | |
| SCHEMBL17829569 | 0.77 | POLB (0.45) | MAPK1ALDH1A1MEN1KMT2A |
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-2016094730-A1 | HETEROCYCLIC COMPOUNDS AS ANTIBIOTIC POTENTIATORS | SYNERECA PHARMACEUTICALS, INC. (US) | 2016-06-16 | — | — | WO | disclosed |