Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | MDM2 | Q00987 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | BLM | P54132 | 1/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.31 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.31 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | CPB2 | Q96IY4 | 1/20 | 0.30 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.30 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.30 |
| ▸ | CDC25A | P30304 | 1/20 | 0.30 |
| ▸ | FNTA | P49354 | 2/20 | 0.30 |
| ▸ | FNTB | P49356 | 2/20 | 0.30 |
| ▸ | MEN1 | O00255 | 1/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL18584058 | 0.85 | BLM (0.38) | CYP1A2BLMPOLBCYP2D6SLC6A2 | |
| SCHEMBL5520693 | 0.79 | CYP2C19 (0.50) | BLMCYP2D6SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL5517446 | 0.76 | ALDH1A1 (0.36) | BLMCYP2D6SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL15106900 | 0.75 | CYP1A2 (0.35) | CYP1A2CYP2C19MEN1ALDH1A1KMT2A | |
| SCHEMBL1834809 | 0.75 | CYP1A2 (0.36) | KDM4ECYP1A2POLBCYP2C9CYP2C19 | |
| SCHEMBL19839393 | 0.75 | KDM4E (0.38) | KDM4ECYP1A2BLMSMN1; SMN2CYP2C9 | |
| SCHEMBL20221176 | 0.74 | CA1 (0.31) | BLMCYP2D6SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL22139449 | 0.74 | NPC1 (0.33) | CYP1A2ALDH1A1 | |
| SCHEMBL2229035 | 0.73 | POLB (0.36) | CYP1A2BLMPOLBCPB2CYP2C19 | |
| SCHEMBL22341255 | 0.73 | ALDH1A1 (0.38) | KDM4ECYP1A2CYP2C9CYP2C19ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3110810-B1 | PYRAZOLE AMIDE DERIVATIVE | TEIJIN PHARMA LTD (JP) | 2018-05-02 | — | — | EP | disclosed |