Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TGFBR1 | P36897 | 3/20 | 0.46 |
| ▸ | CAD | P27708 | 1/20 | 0.38 |
| ▸ | CA2 | P00918 | 5/20 | 0.36 |
| ▸ | CA9 | Q16790 | 3/20 | 0.36 |
| ▸ | CA1 | P00915 | 3/20 | 0.36 |
| ▸ | CA12 | O43570 | 2/20 | 0.36 |
| ▸ | SCN9A | Q15858 | 3/20 | 0.32 |
| ▸ | TSHR | P16473 | 2/20 | 0.32 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.32 |
| ▸ | LMNA | P02545 | 2/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | MAOA | P21397 | 1/20 | 0.32 |
| ▸ | MAOB | P27338 | 1/20 | 0.32 |
| ▸ | THPO | P40225 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | CA5A | P35218 | 1/20 | 0.32 |
| ▸ | BLM | P54132 | 1/20 | 0.32 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.32 |
| ▸ | ECE1 | P42892 | 1/20 | 0.31 |
| ▸ | IL1RN | P18510 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL17987676 | 0.85 | TGFBR1 (0.43) | TGFBR1CADCA2CA9CA1 | |
| SCHEMBL2793957 | 0.82 | TGFBR1 (0.68) | TGFBR1CADCA2CA1NFKB1 | |
| SCHEMBL14050301 | 0.82 | TGFBR1 (0.50) | TGFBR1CA2CA9CA1CA12 | |
| SCHEMBL2793959 | 0.82 | TGFBR1 (0.68) | TGFBR1CADCA2CA1NFKB1 | |
| SCHEMBL2307007 | 0.82 | TGFBR1 (0.68) | TGFBR1CADCA2CA1NFKB1 | |
| SCHEMBL9952740 | 0.80 | TGFBR1 (0.43) | TGFBR1CA2CA9CA1CA12 | |
| SCHEMBL468816 | 0.80 | KDM4E (0.45) | TGFBR1CA2CA9CA1CA12 | |
| SCHEMBL1576871 | 0.80 | KDM4E (0.45) | TGFBR1CA2CA9CA1CA12 | |
| SCHEMBL468815 | 0.80 | KDM4E (0.45) | TGFBR1CA2CA9CA1CA12 | |
| SCHEMBL18569190 | 0.78 | TGFBR1 (0.42) | TGFBR1CA2CA9CA1CA12 |
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 |