Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 3/20 | 0.43 |
| ▸ | CA9 | Q16790 | 2/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.43 |
| ▸ | CA5A | P35218 | 1/20 | 0.43 |
| ▸ | BLM | P54132 | 1/20 | 0.43 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | ECE1 | P42892 | 4/20 | 0.38 |
| ▸ | NPC1 | O15118 | 2/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | CRBN | Q96SW2 | 1/20 | 0.36 |
| ▸ | CA1 | P00915 | 2/20 | 0.36 |
| ▸ | MMP2 | P08253 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | MMP9 | P14780 | 2/20 | 0.35 |
| ▸ | MMP8 | P22894 | 2/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL18520186 | 0.80 | MAPT (0.42) | CA2CA9LMNACYP3A4TSHR | |
| SCHEMBL14058708 | 0.77 | MMP8 (0.39) | CA2CA9TSHRECE1CA1 | |
| SCHEMBL14534806 | 0.76 | — | — | |
| SCHEMBL2661638 | 0.76 | — | — | |
| SCHEMBL8526197 | 0.76 | — | — | |
| SCHEMBL4011389 | 0.75 | LMNA (0.47) | CA2CA9LMNACYP3A4TSHR | |
| SCHEMBL19114300 | 0.75 | SMN1; SMN2 (0.37) | LMNATSHRMAPTNPC1RAB9A | |
| SCHEMBL2792653 | 0.74 | — | — | |
| SCHEMBL2814995 | 0.74 | — | — | |
| SCHEMBL594483 | 0.74 | — | — |
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 |