Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DGAT1 | O75907 | 1/20 | 0.45 |
| ▸ | PTPRB | P23467 | 1/20 | 0.38 |
| ▸ | CA12 | O43570 | 3/20 | 0.38 |
| ▸ | CA14 | Q9ULX7 | 3/20 | 0.38 |
| ▸ | CA1 | P00915 | 2/20 | 0.38 |
| ▸ | CA7 | P43166 | 2/20 | 0.38 |
| ▸ | CA2 | P00918 | 2/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | PKM | P14618 | 1/20 | 0.34 |
| ▸ | CTSK | P43235 | 5/20 | 0.34 |
| ▸ | CTSS | P25774 | 2/20 | 0.34 |
| ▸ | APLNR | P35414 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | MAOA | P21397 | 1/20 | 0.33 |
| ▸ | MAOB | P27338 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 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 | |
|---|---|---|---|---|
| SCHEMBL4792294 | 1.00 | DGAT1 (0.45) | DGAT1PTPRBCA12CA14CA1 | |
| SCHEMBL18923231 | 0.85 | DGAT1 (0.42) | DGAT1PTPRBCA12CA14CA1 | |
| SCHEMBL29382780 | 0.82 | CTSK (0.41) | CA12CA14CA1CA7CA2 | |
| SCHEMBL25515595 | 0.81 | DGAT1 (0.39) | DGAT1PTPRBCA12CA14CA1 | |
| SCHEMBL25513877 | 0.81 | DGAT1 (0.39) | DGAT1PTPRBCA12CA14CA1 | |
| SCHEMBL88463 | 0.81 | DGAT1 (0.45) | DGAT1PTPRBCA12CA14CA1 | |
| SCHEMBL18205451 | 0.79 | DGAT1 (0.44) | DGAT1PTPRBCA12CA14CA1 | |
| SCHEMBL1411640 | 0.78 | DGAT1 (0.42) | DGAT1PTPRBCA12CA14CA1 | |
| SCHEMBL29958680 | 0.78 | DGAT1 (0.50) | DGAT1PTPRBCA12CA14CA1 | |
| SCHEMBL27636963 | 0.78 | CA1 (0.41) | DGAT1CA12CA14CA1CA7 |
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 |
|---|---|---|---|---|---|---|---|
| CN-114057739-A | Diazepinone derivatives and their use in the treatment of hepatitis b infections | 诺维拉治疗公司 | 2022-02-18 | — | — | CN | disclosed |