Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | HTR3A | P46098 | 1/20 | 0.43 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.41 |
| ▸ | AHR | P35869 | 1/20 | 0.41 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.41 |
| ▸ | HTR2A | P28223 | 1/20 | 0.40 |
| ▸ | HTR2C | P28335 | 1/20 | 0.40 |
| ▸ | HTR2B | P41595 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 4/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.38 |
| ▸ | RAB9A | P51151 | 4/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.37 |
| ▸ | NPC1 | O15118 | 3/20 | 0.37 |
| ▸ | MEN1 | O00255 | 3/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.37 |
| ▸ | POLB | P06746 | 2/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.36 |
| ▸ | LMNA | P02545 | 3/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL13229581 | 0.89 | CYP3A4 (0.55) | CYP3A4HTR3ANR1I2AHRMAPK10 | |
| SCHEMBL31549255 | 0.80 | NR4A2 (0.53) | CYP3A4HTR3AHTR2AHTR2CHTR2B | |
| SCHEMBL31549260 | 0.79 | F7 (0.43) | CYP3A4HTR3AHTR2AHTR2CHTR2B | |
| SCHEMBL15562633 | 0.77 | ALDH1A1 (0.49) | CYP3A4HTR3AMAPK10HTR2AHTR2C | |
| SCHEMBL13229697 | 0.73 | CYP3A4 (0.49) | CYP3A4HTR3AHTR2AHTR2CHTR2B | |
| SCHEMBL31549256 | 0.73 | GABRA1 (0.49) | CYP3A4HTR2AHTR2CHTR2BMAPT | |
| SCHEMBL2793777 | 0.71 | CYP3A4 (0.50) | CYP3A4HTR3AMAPTKDM4ESMN1; SMN2 | |
| SCHEMBL6708336 | 0.70 | CYP3A4 (0.49) | CYP3A4HTR3AMAPK10HTR2AHTR2C | |
| SCHEMBL13229579 | 0.70 | ALDH1A1 (0.41) | CYP3A4NR1I2AHRMAPK10HTR2A | |
| Dimethylamine SCHEMBL17104912 | 0.69 | HTR2A (0.45) | CYP3A4HTR3AHTR2AHTR2CHTR2B |
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-3399968-B1 | SELECTIVE INHIBITORS OF CLINICALLY IMPORTANT MUTANTS OF THE EGFR TYROSINE KINASE | CS PHARMATECH LTD (KY) | 2021-10-20 | — | — | EP | disclosed |