Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 2/20 | 0.60 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.60 |
| ▸ | HCAR2 | Q8TDS4 | 6/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.47 |
| ▸ | MEN1 | O00255 | 3/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.47 |
| ▸ | POLB | P06746 | 1/20 | 0.47 |
| ▸ | LMNA | P02545 | 1/20 | 0.47 |
| ▸ | DDO | Q99489 | 1/20 | 0.47 |
| ▸ | ATM | Q13315 | 1/20 | 0.43 |
| ▸ | MKNK1 | Q9BUB5 | 1/20 | 0.39 |
| ▸ | MKNK2 | Q9HBH9 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | SLC7A5 | Q01650 | 1/20 | 0.38 |
| ▸ | RAF1 | P04049 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL29521617 | 1.00 | CYP2C19 (0.60) | CYP2C19CYP2C9HCAR2ALDH1A1KDM4E | |
| SCHEMBL6577887 | 0.83 | TPMT (0.43) | CYP2C19CYP2C9ALDH1A1KDM4EPOLB | |
| SCHEMBL3403399 | 0.83 | TPMT (0.43) | CYP2C19CYP2C9ALDH1A1KDM4EPOLB | |
| SCHEMBL5366124 | 0.82 | ATM (0.43) | CYP2C19CYP2C9HCAR2ALDH1A1KDM4E | |
| SCHEMBL1185308 | 0.81 | CYP2C19 (0.47) | CYP2C19CYP2C9KDM4EATMCYP1A2 | |
| SCHEMBL29382818 | 0.81 | CYP2C19 (0.69) | CYP2C19CYP2C9ALDH1A1KMT2APOLB | |
| SCHEMBL28585768 | 0.81 | CYP2C19 (0.69) | CYP2C19CYP2C9ALDH1A1KMT2APOLB | |
| SCHEMBL30437614 | 0.81 | HCAR2 (0.55) | CYP2C19CYP2C9HCAR2ATMCYP1A2 | |
| SCHEMBL8486543 | 0.81 | HCAR2 (0.55) | HCAR2ATMNPC1RAB9ASMN1; SMN2 | |
| SCHEMBL308788 | 0.81 | CYP1A2 (0.57) | CYP2C19HCAR2KDM4EMEN1KMT2A |
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 4 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-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-2005005437-A1 | AN IMPROVED PROCESS FOR THE MANUFACTURE OF ISRADIPINE. | SHASUN CHEMICALS AND DRUGS LIMITED (IN) | 2005-01-20 | — | — | WO | disclosed |