Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR4 | Q13639 | 15/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.38 |
| ▸ | MIF | P14174 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | PDE5A | O76074 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | PDE4A | P27815 | 1/20 | 0.38 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.38 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.38 |
| ▸ | BLM | P54132 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.38 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.38 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.38 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL21180242 | 0.87 | HTR4 (0.42) | HTR4CYP3A4CYP2D6ALDH1A1CYP1A2 | |
| SCHEMBL20674636 | 0.79 | SSTR4 (0.36) | HTR4ALDH1A1MEN1KMT2ANPSR1 | |
| SCHEMBL18878436 | 0.78 | HTR4 (0.44) | HTR4CYP3A4CYP2D6ALDH1A1CYP1A2 | |
| SCHEMBL21180241 | 0.75 | HTR4 (0.43) | HTR4CYP3A4CYP2D6ALDH1A1CYP1A2 | |
| SCHEMBL21893420 | 0.72 | CNR2 (0.49) | HTR4CYP3A4CYP2D6ALDH1A1CYP1A2 | |
| SCHEMBL23937824 | 0.72 | HTR4 (0.50) | HTR4CYP3A4CYP2D6 | |
| SCHEMBL29389046 | 0.69 | HTR4 (0.50) | HTR4CYP3A4CYP2D6ALDH1A1CYP1A2 | |
| SCHEMBL20654279 | 0.68 | SSTR4 (0.37) | HTR4ALDH1A1CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL20674147 | 0.66 | TDP1 (0.39) | HTR4CYP3A4CYP2D6ALDH1A1CYP1A2 | |
| SCHEMBL20674152 | 0.66 | SSTR4 (0.37) | HTR4CYP3A4CYP2D6ALDH1A1MEN1 |
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 |