Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH2 | P25021 | 1/20 | 0.43 |
| ▸ | HRH1 | P35367 | 1/20 | 0.43 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.43 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.43 |
| ▸ | QPCT | Q16769 | 1/20 | 0.40 |
| ▸ | QPCTL | Q9NXS2 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.39 |
| ▸ | MAPT | P10636 | 3/20 | 0.39 |
| ▸ | LMNA | P02545 | 2/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.39 |
| ▸ | PKM | P14618 | 1/20 | 0.39 |
| ▸ | CCR6 | P51684 | 1/20 | 0.39 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.39 |
| ▸ | ATM | Q13315 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | APOBEC3G | Q9HC16 | 1/20 | 0.39 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL8425012 | 0.86 | HRH2 (0.45) | HRH2HRH1HRH4HRH3ALDH1A1 | |
| SCHEMBL8818411 | 0.78 | NPC1 (0.42) | QPCTQPCTLALDH1A1KDM4EMAPT | |
| SCHEMBL18372644 | 0.77 | HRH2 (0.41) | HRH2HRH4HRH3CYP3A4MAPK1 | |
| SCHEMBL5518230 | 0.75 | — | — | |
| SCHEMBL14253913 | 0.74 | HRH2 (0.42) | HRH2HRH1HRH4HRH3QPCT | |
| SCHEMBL4412289 | 0.74 | CYP3A4 (0.48) | ALDH1A1KDM4EMAPTLMNACYP3A4 | |
| SCHEMBL13134161 | 0.73 | JAK3 (0.42) | QPCTQPCTLALDH1A1KDM4EMAPT | |
| SCHEMBL5217908 | 0.71 | — | — | |
| SCHEMBL17493877 | 0.71 | CA1 (0.49) | HRH4HRH3NPC1RAB9A | |
| SCHEMBL13134163 | 0.70 | TGM2 (0.40) | ALDH1A1KDM4ELMNACYP3A4NPSR1 |
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 |