Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 7/20 | 0.53 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.53 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.53 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.50 |
| ▸ | FOXM1 | Q08050 | 1/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.48 |
| ▸ | MEN1 | O00255 | 1/20 | 0.48 |
| ▸ | HTR1B | P28222 | 2/20 | 0.47 |
| ▸ | DRD2 | P14416 | 1/20 | 0.47 |
| ▸ | DRD4 | P21917 | 1/20 | 0.47 |
| ▸ | DRD3 | P35462 | 1/20 | 0.47 |
| ▸ | HTR1D | P28221 | 1/20 | 0.47 |
| ▸ | ADRA1A | P35348 | 2/20 | 0.46 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | PKM | P14618 | 1/20 | 0.44 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL12204045 | 0.84 | KDM4E (0.56) | KDM4ECYP1A2CYP2D6CYP2C19ALDH1A1 | |
| SCHEMBL2668605 | 0.84 | KDM4E (0.56) | KDM4ECYP1A2CYP2D6CYP2C19ALDH1A1 | |
| SCHEMBL2352175 | 0.83 | KDM4E (0.69) | KDM4ECYP1A2CYP2D6CYP2C19ALDH1A1 | |
| SCHEMBL1547735 | 0.82 | ALDH1A1 (0.70) | KDM4ECYP1A2CYP2D6CYP2C19ALDH1A1 | |
| SCHEMBL375511 | 0.81 | KDM4E (0.53) | KDM4ECYP1A2CYP2D6CYP2C19ALDH1A1 | |
| SCHEMBL9071936 | 0.79 | KDM4E (0.57) | KDM4ECYP1A2CYP2D6CYP2C19ALDH1A1 | |
| SCHEMBL2659080 | 0.79 | KDM4E (0.57) | KDM4ECYP1A2CYP2D6CYP2C19ALDH1A1 | |
| SCHEMBL23074698 | 0.79 | ALDH1A1 (0.70) | KDM4ECYP1A2CYP2D6CYP2C19ALDH1A1 | |
| SCHEMBL12204135 | 0.79 | ALDH1A1 (0.70) | KDM4ECYP1A2CYP2D6CYP2C19ALDH1A1 | |
| SCHEMBL5689791 | 0.77 | DRD4 (0.51) | KDM4ECYP1A2CYP2D6CYP2C19ALDH1A1 |
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-2008065500-A2 | HETEROARYL AMIDES AS TYPE I GLYCINE TRANSPORT INHIBITORS | PFIZER PRODUCTS INC. (US) | 2008-06-05 | — | — | WO | disclosed |