Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | DRD4 | P21917 | 1/20 | 0.35 |
| ▸ | DRD3 | P35462 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | TAAR1 | Q96RJ0 | 7/20 | 0.34 |
| ▸ | HTR2A | P28223 | 1/20 | 0.32 |
| ▸ | TRPM8 | Q7Z2W7 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.32 |
| ▸ | OPRK1 | P41145 | 2/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL1885037 | 0.83 | ALDH1A1 (0.46) | KMT2ANPSR1ALDH1A1KDM4EMAPK1 | |
| SCHEMBL7307 | 0.80 | ALDH1A1 (0.40) | NPSR1ALDH1A1KDM4EMAPK1DRD4 | |
| SCHEMBL7435 | 0.73 | TAAR1 (0.49) | KMT2ADRD4DRD3L3MBTL1TAAR1 | |
| SCHEMBL2117089 | 0.72 | ALDH1A1 (0.42) | KMT2ANPSR1ALDH1A1KDM4EMAPK1 | |
| SCHEMBL5666 | 0.71 | ALDH1A1 (0.53) | KMT2AALDH1A1KDM4EMAPK1MEN1 | |
| SCHEMBL845135 | 0.69 | OPRK1 (0.38) | ALDH1A1KDM4EHTR2AOPRK1CYP3A4 | |
| Hydrochloric Acid SCHEMBL20562995 | 0.65 | CCR1 (0.40) | NPSR1ALDH1A1KDM4EL3MBTL1TAAR1 | |
| SCHEMBL247016 | 0.65 | DRD4 (0.38) | KMT2ANPSR1ALDH1A1KDM4EDRD4 | |
| SCHEMBL9733 | 0.65 | MEN1 (0.37) | KMT2AKDM4EL3MBTL1MEN1GAA | |
| SCHEMBL2916466 | 0.64 | SMN1; SMN2 (0.36) | KMT2AALDH1A1KDM4EL3MBTL1GAA |
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-2011058109-A1 | FUSED BICYCLIC PYRROLE AND IMIDAZOLE DERIVATIVES AS KINASE INHIBITORS | UCB PHARMA S.A. (BE) | 2011-05-19 | — | — | WO | disclosed |