Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.34 |
| ▸ | GLA | P06280 | 2/20 | 0.34 |
| ▸ | GAA | P10253 | 2/20 | 0.34 |
| ▸ | CA1 | P00915 | 2/20 | 0.33 |
| ▸ | CA2 | P00918 | 2/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | CA12 | O43570 | 1/20 | 0.33 |
| ▸ | CA7 | P43166 | 1/20 | 0.33 |
| ▸ | CA9 | Q16790 | 1/20 | 0.33 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | MAP2K1 | Q02750 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 2/20 | 0.31 |
| ▸ | CFTR | P13569 | 1/20 | 0.31 |
| ▸ | HSD17B10 | Q99714 | 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 | |
|---|---|---|---|---|
| SCHEMBL4334916 | 0.81 | CA12 (0.32) | TSHRALDH1A1CA1CA2TDP1 | |
| SCHEMBL6209354 | 0.77 | — | — | |
| SCHEMBL29107802 | 0.71 | NPSR1 (0.33) | TSHRALDH1A1KDM4EGLAGAA | |
| SCHEMBL5552219 | 0.70 | KDM4E (0.33) | TSHRALDH1A1KDM4EGLAGAA | |
| SCHEMBL29065451 | 0.70 | NPSR1 (0.35) | TSHRALDH1A1KDM4EGLAGAA | |
| SCHEMBL6645426 | 0.69 | NPSR1 (0.34) | TSHRALDH1A1KDM4EGLAGAA | |
| SCHEMBL6645420 | 0.69 | NPSR1 (0.34) | TSHRALDH1A1KDM4EGLAGAA | |
| SCHEMBL22747795 | 0.68 | — | — | |
| SCHEMBL6414618 | 0.65 | TSHR (0.37) | TSHRALDH1A1KDM4EGAACA1 | |
| SCHEMBL27209677 | 0.63 | TSHR (0.39) | TSHRALDH1A1KDM4EGAACA1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109843892-B | Oxadiazepinone derivatives and their use in the treatment of hepatitis B infections | 诺维拉治疗公司 | 2022-01-25 | — | — | CN | disclosed |
| CN-109843892-A | Dislike diazepine ketone derivatives and its purposes in treatment hepatitis B infection | 诺维拉治疗公司 | 2019-06-04 | — | — | CN | disclosed |