Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.33 |
| ▸ | TSHR | P16473 | 2/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.32 |
| ▸ | CA12 | O43570 | 3/20 | 0.31 |
| ▸ | CA1 | P00915 | 3/20 | 0.31 |
| ▸ | CA2 | P00918 | 3/20 | 0.31 |
| ▸ | CA7 | P43166 | 3/20 | 0.31 |
| ▸ | CA9 | Q16790 | 3/20 | 0.31 |
| ▸ | CA14 | Q9ULX7 | 3/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.31 |
| ▸ | KDM4C | Q9H3R0 | 2/20 | 0.30 |
| ▸ | KDM6B | O15054 | 1/20 | 0.30 |
| ▸ | KDM5C | P41229 | 1/20 | 0.30 |
| ▸ | KDM2A | Q9Y2K7 | 1/20 | 0.30 |
| ▸ | KDM3A | Q9Y4C1 | 1/20 | 0.30 |
| ▸ | STAT3 | P40763 | 1/20 | 0.30 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL15012524 | 0.81 | CYP2C9 (0.31) | NPSR1ALDH1A1 | |
| SCHEMBL4637718 | 0.75 | — | — | |
| SCHEMBL29065453 | 0.67 | NPSR1 (0.38) | NPSR1MAPK1TSHRKDM4EALDH1A1 | |
| SCHEMBL28629876 | 0.66 | ALDH1A1 (0.38) | KDM4EALDH1A1CA12CA1CA2 | |
| SCHEMBL4337079 | 0.66 | NPSR1 (0.33) | NPSR1MAPK1TSHRKDM4EALDH1A1 | |
| SCHEMBL28803075 | 0.65 | TSHR (0.33) | NPSR1MAPK1TSHRKDM4EALDH1A1 | |
| SCHEMBL2010358 | 0.65 | CHRM3 (0.34) | NPSR1MAPK1TSHRKDM4EALDH1A1 | |
| SCHEMBL29065452 | 0.65 | NPSR1 (0.44) | NPSR1MAPK1TSHRKDM4EALDH1A1 | |
| SCHEMBL8903178 | 0.64 | NPSR1 (0.35) | NPSR1MAPK1TSHRKDM4EALDH1A1 | |
| SCHEMBL27988394 | 0.64 | MAPT (0.33) | NPSR1MAPK1TSHRKDM4ECA12 |
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 5 patents. 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 |
| CN-109641896-B | Diazepinone derivatives and their use in the treatment of hepatitis b infections | 诺维拉治疗公司 | 2021-09-21 | — | — | CN | disclosed |
| CN-107207509-B | Substituted bridged ring urea analogs as sirtuin modulators | 葛兰素史密斯克莱知识产权（第2 号）有限公司 | 2020-04-21 | — | — | CN | disclosed |
| CN-109641896-A | DIAZEPINONE DERIVATIVES AND THEIR USE IN THE TREATMENT OF HEPATITIS B INFECTIONS | 诺维拉治疗公司 | 2019-04-16 | — | — | CN | disclosed |
| WO-2009145357-A1 | IN 1-POSITION DURCH EINEN RING SUBSTITUIERTE BENZO [1, 4] DIAZEPINE ZUR VERWENDUNGS ALS ANTIDEPRESSIVA | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 2009-12-03 | — | — | WO | disclosed |