Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SCN9A | Q15858 | 6/20 | 0.71 |
| ▸ | CYP3A4 | P08684 | 6/20 | 0.53 |
| ▸ | CYP2C9 | P11712 | 6/20 | 0.53 |
| ▸ | CYP2C19 | P33261 | 6/20 | 0.53 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.51 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.51 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.51 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.48 |
| ▸ | LMNA | P02545 | 1/20 | 0.48 |
| ▸ | TSHR | P16473 | 1/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.48 |
| ▸ | NOS2 | P35228 | 1/20 | 0.47 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.46 |
| ▸ | PABPC1 | P11940 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL29421458 | 0.83 | SCN9A (1.00) | SCN9A | |
| SCHEMBL787412 | 0.83 | SCN9A (1.00) | SCN9A | |
| SCHEMBL24517122 | 0.82 | SCN9A (0.62) | SCN9ACYP3A4CYP2C9CYP2C19CYP2D6 | |
| SCHEMBL13270542 | 0.76 | SCN9A (0.51) | SCN9A | |
| SCHEMBL22530412 | 0.75 | SCN9A (0.55) | SCN9ACYP3A4CYP2C9CYP2C19CYP2D6 | |
| SCHEMBL22530411 | 0.74 | ALDH1A1 (0.55) | SCN9ACYP3A4CYP2C9CYP2C19CYP2D6 | |
| SCHEMBL22530931 | 0.73 | ALDH1A1 (0.63) | SCN9ACYP3A4CYP2C9CYP2C19CYP2D6 | |
| SCHEMBL10371775 | 0.72 | LTA4H (0.72) | CYP3A4CYP2C9CYP2C19CYP2D6ALDH1A1 | |
| SCHEMBL22530439 | 0.71 | CYP3A4 (0.56) | SCN9ACYP3A4CYP2C9CYP2C19CYP2D6 | |
| SCHEMBL22531085 | 0.71 | ALDH1A1 (0.49) | SCN9ACYP3A4CYP2C9CYP2C19CYP2D6 |
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-2616441-B1 | PYRIDINE COMPOUNDS AND THE USES THEREOF | PURDUE PHARMA LP (US) | 2019-08-07 | — | — | EP | disclosed |