Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 3/20 | 0.38 |
| ▸ | CA14 | Q9ULX7 | 3/20 | 0.38 |
| ▸ | CA2 | P00918 | 2/20 | 0.38 |
| ▸ | DGAT1 | O75907 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 3/20 | 0.34 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 2/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.32 |
| ▸ | MGAM | O43451 | 1/20 | 0.32 |
| ▸ | SI | P14410 | 1/20 | 0.32 |
| ▸ | MGAM2 | Q2M2H8 | 1/20 | 0.32 |
| ▸ | MTNR1A | P48039 | 2/20 | 0.32 |
| ▸ | MTNR1B | P49286 | 2/20 | 0.32 |
| ▸ | AKT1 | P31749 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | TET2 | Q6N021 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL28073281 | 0.83 | TSHR (0.43) | CA12CA14TSHRTRPA1ALDH1A1 | |
| SCHEMBL29015869 | 0.83 | TRPA1 (0.46) | CA12CA14CA2DGAT1TSHR | |
| SCHEMBL38493 | 0.83 | — | — | |
| SCHEMBL12305755 | 0.83 | — | — | |
| Ammonia Solution, Strong SCHEMBL22577671 | 0.81 | TRPA1 (0.44) | CA12CA14CA2DGAT1TSHR | |
| SCHEMBL15456193 | 0.81 | TRPA1 (0.44) | CA12CA14CA2DGAT1TSHR | |
| SCHEMBL140252 | 0.79 | — | — | |
| Acetic Acid SCHEMBL29174291 | 0.77 | TRPA1 (0.41) | DGAT1TSHRTRPA1ALDH1A1CYP2D6 | |
| Potassium Iodide SCHEMBL27859957 | 0.77 | TRPA1 (0.41) | CA12CA14CA2DGAT1TRPA1 | |
| SCHEMBL12539245 | 0.77 | TDP1 (0.36) | CA12CA14CA2DGAT1TSHR |
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-0113106-A1 | New nitro aliphatic compounds, process for preparation thereof and use thereof | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 1984-07-11 | — | — | EP | disclosed |