Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEP1B | Q16820 | 1/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.42 |
| ▸ | MPO | P05164 | 1/20 | 0.41 |
| ▸ | CCNT1 | O60563 | 2/20 | 0.41 |
| ▸ | DAO | P14920 | 2/20 | 0.40 |
| ▸ | ROCK2 | O75116 | 2/20 | 0.40 |
| ▸ | ROCK1 | Q13464 | 2/20 | 0.40 |
| ▸ | KCNA5 | P22460 | 1/20 | 0.39 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.39 |
| ▸ | KCNB1 | Q14721 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | MRGPRX4 | Q96LA9 | 1/20 | 0.39 |
| ▸ | GRM4 | Q14833 | 1/20 | 0.38 |
| ▸ | ALKBH1 | Q13686 | 1/20 | 0.38 |
| ▸ | VNN1 | O95497 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 2/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL28675974 | 0.80 | DRD1 (0.49) | MEP1BTDP1MPOCCNT1DAO | |
| SCHEMBL28671922 | 0.79 | VNN1 (0.53) | TDP1DAOMRGPRX4ALKBH1VNN1 | |
| SCHEMBL28637834 | 0.78 | GRIN1 (0.42) | DAOMRGPRX4VNN1MEN1RAB9A | |
| SCHEMBL8340724 | 0.77 | MEP1B (0.50) | MEP1BDAOROCK2ROCK1KCNA5 | |
| SCHEMBL30471919 | 0.77 | MEP1B (0.50) | MEP1BDAOROCK2ROCK1KCNA5 | |
| SCHEMBL22812809 | 0.74 | MEP1B (0.50) | MEP1BMPODAOROCK2ROCK1 | |
| SCHEMBL20875015 | 0.74 | MPO (0.41) | MEP1BMPOCCNT1DAOROCK2 | |
| SCHEMBL13762381 | 0.74 | MEP1B (0.47) | MEP1BMPODAOROCK2ROCK1 | |
| SCHEMBL28639955 | 0.73 | HDAC3 (0.56) | GRM4VNN1MEN1MAPTKMT2A | |
| SCHEMBL13766434 | 0.72 | MEP1B (0.48) | MEP1BDAOROCK2ROCK1KCNA5 |
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-113412113-A | Aminooxazine amides | 豪夫迈·罗氏有限公司 | 2021-09-17 | — | — | CN | claimed |
| CN-113943275-A | Pyrimidine compound and application thereof | 武汉人福创新药物研发中心有限公司 | 2022-01-18 | — | — | CN | disclosed |
| CN-113943276-A | Nitrogen heterocyclic compound and application thereof | 武汉人福创新药物研发中心有限公司 | 2022-01-18 | — | — | CN | disclosed |
| CN-113412113-A | Aminooxazine amides | 豪夫迈·罗氏有限公司 | 2021-09-17 | — | — | CN | disclosed |