Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | DGAT1 | O75907 | 1/20 | 0.39 |
| ▸ | CA1 | P00915 | 2/20 | 0.38 |
| ▸ | CA2 | P00918 | 2/20 | 0.38 |
| ▸ | CA7 | P43166 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | CA12 | O43570 | 2/20 | 0.36 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.36 |
| ▸ | APLNR | P35414 | 1/20 | 0.36 |
| ▸ | CTSS | P25774 | 2/20 | 0.36 |
| ▸ | CTSK | P43235 | 2/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL303868 | 0.92 | — | — | |
| Acetic Acid SCHEMBL3543052 | 0.90 | MEN1 (0.41) | TDP1DGAT1CA1CA2CA7 | |
| SCHEMBL28175005 | 0.90 | — | — | |
| SCHEMBL30402270 | 0.90 | DGAT1 (0.42) | TDP1DGAT1CA1CA2CA7 | |
| Hydrochloric Acid SCHEMBL27497408 | 0.90 | DGAT1 (0.42) | TDP1DGAT1CA1CA2CA7 | |
| Acetic Acid Methyl Ester SCHEMBL7023797 | 0.88 | ALDH1A1 (0.48) | TDP1DGAT1CA1CA2CA7 | |
| Propane SCHEMBL28996705 | 0.85 | CA1 (0.44) | TDP1DGAT1CA1CA2CA7 | |
| Alcohol SCHEMBL23629777 | 0.83 | TDP1 (0.47) | TDP1DGAT1CA1CA2CA7 | |
| Hypophosphorous Acid SCHEMBL8827759 | 0.83 | TDP1 (0.38) | TDP1DGAT1CA1CA2CA7 | |
| SCHEMBL15715986 | 0.83 | APLNR (0.39) | TDP1DGAT1CA1CA2CA7 |
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-2393781-B1 | DIHYDROPYRIDONE UREAS AS P2X7 MODULATORS | HOFFMANN LA ROCHE (CH) | 2014-03-12 | — | — | EP | disclosed |