Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 2/20 | 0.68 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.68 |
| ▸ | HDAC8 | Q9BY41 | 3/20 | 0.42 |
| ▸ | CYP11B2 | P19099 | 3/20 | 0.41 |
| ▸ | CYP11B1 | P15538 | 2/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.39 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.39 |
| ▸ | GRM5 | P41594 | 1/20 | 0.39 |
| ▸ | ACHE | P22303 | 2/20 | 0.39 |
| ▸ | BCHE | P06276 | 1/20 | 0.39 |
| ▸ | PKN1 | Q16512 | 1/20 | 0.39 |
| ▸ | PKN2 | Q16513 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | MAPKAPK2 | P49137 | 1/20 | 0.38 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| Isonicotinonitrile SCHEMBL3242603 | 0.87 | HDAC8 (0.48) | CYP2A6ALDH1A1HDAC8CYP11B2CYP11B1 | |
| Isonicotinonitrile SCHEMBL2015834 | 0.87 | HDAC8 (0.52) | CYP2A6ALDH1A1HDAC8CYP11B2CYP11B1 | |
| Isonicotinonitrile SCHEMBL151611 | 0.87 | — | — | |
| Isonicotinonitrile SCHEMBL12264099 | 0.87 | — | — | |
| Isonicotinonitrile SCHEMBL29881309 | 0.85 | — | — | |
| Isonicotinonitrile SCHEMBL17536705 | 0.85 | — | — | |
| Isonicotinonitrile SCHEMBL31532552 | 0.85 | — | — | |
| Isonicotinonitrile SCHEMBL27920335 | 0.85 | HDAC8 (0.50) | CYP2A6ALDH1A1HDAC8CYP11B2CYP11B1 | |
| Isonicotinonitrile SCHEMBL17162916 | 0.85 | — | — | |
| Isonicotinonitrile SCHEMBL28206662 | 0.85 | HDAC8 (0.50) | CYP2A6ALDH1A1HDAC8CYP11B2CYP11B1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0476338-B1 | Polyviologen modified electrode and use thereof | DAISO CO LTD (JP) | 1999-11-03 | — | — | EP | disclosed |
| US-5232574-A | Water and solvent insolubility | DAISO CO. LTD. (JP) | 1993-08-03 | — | — | US | disclosed |
| EP-0476338-A2 | Polyviologen modified electrode and use thereof | DAISO CO., LTD. (JP) | 1992-03-25 | — | — | EP | disclosed |