Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 1/20 | 0.41 |
| ▸ | UNG | P13051 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.38 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.38 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.38 |
| ▸ | TYR | P14679 | 1/20 | 0.36 |
| ▸ | SRC | P12931 | 1/20 | 0.36 |
| ▸ | TRIM24 | O15164 | 1/20 | 0.35 |
| ▸ | TRIM33 | Q9UPN9 | 1/20 | 0.35 |
| ▸ | MAOA | P21397 | 3/20 | 0.35 |
| ▸ | MAOB | P27338 | 3/20 | 0.35 |
| ▸ | CA12 | O43570 | 1/20 | 0.34 |
| ▸ | CA1 | P00915 | 1/20 | 0.34 |
| ▸ | CA2 | P00918 | 1/20 | 0.34 |
| ▸ | CA9 | Q16790 | 1/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
| ▸ | GRIA4 | P48058 | 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 | |
|---|---|---|---|---|
| SCHEMBL13506212 | 0.82 | ALDH1A1 (0.38) | UNGALDH1A1HDAC4HDAC2HDAC8 | |
| SCHEMBL4099672 | 0.81 | HDAC4 (0.53) | UNGALDH1A1HDAC4HDAC2HDAC8 | |
| SCHEMBL27796753 | 0.79 | ALDH1A1 (0.41) | UNGALDH1A1HDAC4HDAC2HDAC8 | |
| SCHEMBL5306930 | 0.77 | MTNR1A (0.39) | UNGALDH1A1RAB9A | |
| SCHEMBL1654299 | 0.77 | TRPA1 (0.47) | TRPA1ALDH1A1HDAC4HDAC2HDAC8 | |
| SCHEMBL727874 | 0.76 | TYR (0.56) | UNGALDH1A1HDAC4HDAC2HDAC8 | |
| SCHEMBL30291836 | 0.76 | TYR (0.56) | UNGALDH1A1HDAC4HDAC2HDAC8 | |
| SCHEMBL10409370 | 0.75 | TRPA1 (0.46) | TRPA1ALDH1A1HDAC4HDAC2HDAC8 | |
| SCHEMBL15500995 | 0.75 | PNMT (0.47) | TRPA1ALDH1A1 | |
| SCHEMBL4171146 | 0.74 | F10 (0.40) | UNGALDH1A1HDAC4HDAC2HDAC8 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2970303-B1 | SUBSTITUTED XANTHINES AND METHODS OF USE THEREOF | HYDRA BIOSCIENCES INC (US) | 2017-05-10 | — | — | EP | disclosed |