Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PRSS1 | P07477 | 1/20 | 0.49 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.49 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.47 |
| ▸ | MMP9 | P14780 | 1/20 | 0.46 |
| ▸ | MMP8 | P22894 | 1/20 | 0.46 |
| ▸ | MMP13 | P45452 | 1/20 | 0.46 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.45 |
| ▸ | HDAC3 | O15379 | 3/20 | 0.43 |
| ▸ | HDAC1 | Q13547 | 3/20 | 0.43 |
| ▸ | HDAC2 | Q92769 | 3/20 | 0.43 |
| ▸ | HDAC8 | Q9BY41 | 3/20 | 0.43 |
| ▸ | HDAC6 | Q9UBN7 | 3/20 | 0.43 |
| ▸ | ASAH1 | Q13510 | 2/20 | 0.43 |
| ▸ | HDAC4 | P56524 | 2/20 | 0.43 |
| ▸ | HDAC7 | Q8WUI4 | 2/20 | 0.43 |
| ▸ | HDAC10 | Q969S8 | 2/20 | 0.43 |
| ▸ | HDAC11 | Q96DB2 | 2/20 | 0.43 |
| ▸ | HDAC9 | Q9UKV0 | 2/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL28295013 | 0.94 | ALDH1A1 (0.52) | PRSS1PRSS2PRSS3ALDH1A1KDM4E | |
| SCHEMBL1404164 | 0.85 | EPHX1 (0.53) | ALDH1A1MMP9MMP8MMP13EPHX1 | |
| SCHEMBL7642789 | 0.85 | EPHX1 (0.53) | ALDH1A1MMP9MMP8MMP13EPHX1 | |
| SCHEMBL18248508 | 0.85 | EPHX1 (0.53) | ALDH1A1MMP9MMP8MMP13EPHX1 | |
| SCHEMBL4555669 | 0.85 | EPHX1 (0.53) | ALDH1A1MMP9MMP8MMP13EPHX1 | |
| SCHEMBL8763769 | 0.85 | EPHX1 (0.53) | ALDH1A1MMP9MMP8MMP13EPHX1 | |
| SCHEMBL21359023 | 0.85 | EPHX1 (0.53) | ALDH1A1MMP9MMP8MMP13EPHX1 | |
| SCHEMBL1945087 | 0.84 | EPHX1 (0.54) | ALDH1A1MMP9MMP8MMP13EPHX1 | |
| SCHEMBL528414 | 0.79 | EPHX1 (0.56) | ALDH1A1KDM4EMMP9MMP8MMP13 | |
| SCHEMBL28662691 | 0.78 | PRSS1 (0.44) | PRSS1PRSS2PRSS3ALDH1A1KDM4E |
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-109563103-B | Modulators of beta-3 adrenergic receptors for the treatment or prevention of disorders related thereto | 艾尼纳制药公司 | 2022-05-27 | — | — | CN | disclosed |
| CN-111699189-A | Modulators of beta-3 adrenergic receptors useful for the treatment or prevention of heart failure and disorders associated therewith | 艾尼纳制药公司 | 2020-09-22 | — | — | CN | disclosed |