Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 1/20 | 0.47 |
| ▸ | TSHR | P16473 | 1/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
| ▸ | MTOR | P42345 | 1/20 | 0.47 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.47 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.46 |
| ▸ | SCN9A | Q15858 | 4/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.35 |
| ▸ | HTT | P42858 | 2/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | NAMPT | P43490 | 1/20 | 0.34 |
| ▸ | ACACB | O00763 | 1/20 | 0.34 |
| ▸ | RECQL | P46063 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | NTRK1 | P04629 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL8843352 | 0.81 | TDP1 (0.48) | CYP2C9TSHRCYP2C19MTORHRH4 | |
| SCHEMBL16750102 | 0.75 | HPGDS (0.44) | CYP2C9TSHRCYP2C19MTORHRH4 | |
| SCHEMBL2629331 | 0.74 | CYP2C9 (0.56) | CYP2C9TSHRCYP2C19MTORHRH4 | |
| SCHEMBL13563913 | 0.74 | TSHR (0.56) | CYP2C9TSHRCYP2C19MTORHRH4 | |
| SCHEMBL3929706 | 0.73 | TSHR (0.51) | CYP2C9TSHRCYP2C19MTORHRH4 | |
| Hydrochloric Acid SCHEMBL8844335 | 0.73 | TDP1 (0.44) | CYP2C9TSHRCYP2C19MTORHRH4 | |
| Hydrochloric Acid SCHEMBL1310275 | 0.72 | TDP1 (0.58) | CYP2C9TSHRCYP2C19MTORHRH4 | |
| SCHEMBL9953900 | 0.72 | CYP2C9 (0.59) | CYP2C9TSHRCYP2C19MTORHRH4 | |
| Hydrochloric Acid SCHEMBL7422764 | 0.71 | TDP1 (0.61) | CYP2C9TSHRCYP2C19MTORHRH4 | |
| Hydrochloric Acid SCHEMBL8843528 | 0.71 | TDP1 (0.46) | CYP2C9TSHRCYP2C19MTORHRH4 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2655330-A1 | SUBSTITUTED PYRIDINES AS SODIUM CHANNEL BLOCKERS | Purdue Pharma LP (US) | 2013-10-30 | — | — | EP | disclosed |
| WO-2012085650-A1 | SUBSTITUTED PYRIDINES AS SODIUM CHANNEL BLOCKERS | PURDUE PHARMA L.P. (US) | 2012-06-28 | — | — | WO | disclosed |