Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 2/20 | 0.44 |
| ▸ | EGLN2 | Q96KS0 | 1/20 | 0.39 |
| ▸ | ABCC9 | O60706 | 1/20 | 0.38 |
| ▸ | ABCC8 | Q09428 | 1/20 | 0.38 |
| ▸ | KCNJ11 | Q14654 | 1/20 | 0.38 |
| ▸ | KCNJ8 | Q15842 | 1/20 | 0.38 |
| ▸ | TRPV4 | Q9HBA0 | 1/20 | 0.36 |
| ▸ | PGR | P06401 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | GSK3B | P49841 | 2/20 | 0.34 |
| ▸ | IMPDH2 | P12268 | 1/20 | 0.34 |
| ▸ | IMPDH1 | P20839 | 1/20 | 0.34 |
| ▸ | DRD2 | P14416 | 1/20 | 0.34 |
| ▸ | DRD3 | P35462 | 1/20 | 0.34 |
| ▸ | SETDB1 | Q15047 | 1/20 | 0.34 |
| ▸ | ELANE | P08246 | 1/20 | 0.33 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.33 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.33 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.33 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL23018392 | 0.86 | CYP2A6 (0.48) | CYP2A6EGLN2ABCC9ABCC8KCNJ11 | |
| SCHEMBL17679940 | 0.85 | CYP2A6 (0.39) | CYP2A6EGLN2ABCC9ABCC8KCNJ11 | |
| SCHEMBL13824727 | 0.78 | CYP2A6 (0.52) | CYP2A6EGLN2ABCC9ABCC8KCNJ11 | |
| SCHEMBL2934457 | 0.77 | CYP2A6 (0.47) | CYP2A6EGLN2ABCC9ABCC8KCNJ11 | |
| SCHEMBL12910016 | 0.76 | CYP2A6 (0.47) | CYP2A6EGLN2ABCC9ABCC8KCNJ11 | |
| SCHEMBL2154388 | 0.76 | EGLN2 (0.52) | CYP2A6EGLN2ABCC9ABCC8KCNJ11 | |
| SCHEMBL12959691 | 0.75 | PDE3B (0.35) | CYP2A6ALDH1A1MEN1KMT2A | |
| SCHEMBL17530142 | 0.75 | MAPT (0.36) | CYP2A6ALDH1A1 | |
| SCHEMBL11661685 | 0.75 | TRPA1 (0.39) | CYP2A6ALDH1A1 | |
| SCHEMBL13199458 | 0.75 | CYP2A6 (0.48) | CYP2A6EGLN2ABCC9ABCC8KCNJ11 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2016055947-A1 | ALKYNE COMPOUNDS AS S-NITROSOGLUTATHIONE REDUCTASE INHIBITORS | GLENMARK PHARMACEUTICALS S.A. (CH) | 2016-04-14 | — | — | WO | disclosed |