Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NLRP3 | Q96P20 | 8/20 | 0.55 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.51 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.51 |
| ▸ | GAA | P10253 | 2/20 | 0.51 |
| ▸ | MAPT | P10636 | 2/20 | 0.50 |
| ▸ | RAB9A | P51151 | 2/20 | 0.50 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.50 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.50 |
| ▸ | POLB | P06746 | 1/20 | 0.49 |
| ▸ | NPC1 | O15118 | 1/20 | 0.49 |
| ▸ | MEN1 | O00255 | 1/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL16443941 | 0.83 | HDAC3 (0.67) | HDAC4ALDH1A1GAAMAPTRAB9A | |
| SCHEMBL11014261 | 0.82 | L3MBTL1 (0.67) | NLRP3HDAC4ALDH1A1CYP1A2GAA | |
| SCHEMBL441932 | 0.82 | HDAC4 (0.67) | NLRP3HDAC4ALDH1A1CYP1A2MAPT | |
| SCHEMBL439465 | 0.82 | HDAC4 (0.71) | NLRP3HDAC4ALDH1A1CYP1A2POLB | |
| SCHEMBL13233238 | 0.80 | HDAC4 (0.65) | NLRP3HDAC4ALDH1A1CYP1A2POLB | |
| SCHEMBL7093999 | 0.80 | ALDH1A1 (0.58) | NLRP3HDAC4ALDH1A1CYP1A2GAA | |
| SCHEMBL5142374 | 0.79 | ALDH1A1 (0.66) | NLRP3HDAC4ALDH1A1CYP1A2MAPT | |
| SCHEMBL9789930 | 0.79 | MAPK1 (0.66) | NLRP3HDAC4ALDH1A1CYP1A2MAPT | |
| SCHEMBL13233243 | 0.79 | CA1 (0.60) | NLRP3HDAC4ALDH1A1CYP1A2MAPT | |
| SCHEMBL29720309 | 0.79 | NLRP3 (0.59) | NLRP3HDAC4ALDH1A1CYP1A2GAA |
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-2017198785-A1 | OXIME DERIVATIVES USEFUL AS INHIBITORS OF HISTONE DEMETHYLASE KDM4C | IEO - ISTITUTO EUROPEO DI ONCOLOGIA S.R.L. (IT) | 2017-11-23 | — | — | WO | disclosed |