Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | OPRD1 | P41143 | 3/20 | 0.61 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.61 |
| ▸ | IL1RN | P18510 | 3/20 | 0.58 |
| ▸ | ERAP2 | Q6P179 | 3/20 | 0.58 |
| ▸ | CCKAR | P32238 | 1/20 | 0.56 |
| ▸ | CCKBR | P32239 | 1/20 | 0.56 |
| ▸ | ACE | P12821 | 2/20 | 0.55 |
| ▸ | MMP9 | P14780 | 2/20 | 0.55 |
| ▸ | MMP8 | P22894 | 2/20 | 0.55 |
| ▸ | MMP2 | P08253 | 1/20 | 0.55 |
| ▸ | ERAP1 | Q9NZ08 | 1/20 | 0.55 |
| ▸ | REN | P00797 | 1/20 | 0.54 |
| ▸ | LTA4H | P09960 | 1/20 | 0.54 |
| ▸ | ECE1 | P42892 | 1/20 | 0.54 |
| ▸ | MMP1 | P03956 | 1/20 | 0.52 |
| ▸ | MMP3 | P08254 | 1/20 | 0.52 |
| ▸ | MME | P08473 | 1/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL28542674 | 1.00 | OPRD1 (0.61) | OPRD1OPRM1IL1RNERAP2CCKAR | |
| SCHEMBL28544119 | 0.94 | IL1RN (0.64) | OPRD1OPRM1IL1RNERAP2CCKAR | |
| SCHEMBL28544120 | 0.94 | IL1RN (0.64) | OPRD1OPRM1IL1RNERAP2CCKAR | |
| SCHEMBL38662359 | 0.88 | OPRM1 (0.72) | OPRD1OPRM1IL1RNERAP2ERAP1 | |
| SCHEMBL21261645 | 0.87 | MMP2 (0.56) | OPRD1OPRM1IL1RNERAP2CCKAR | |
| SCHEMBL29550952 | 0.84 | ACE (0.63) | OPRD1OPRM1IL1RNERAP2CCKAR | |
| SCHEMBL31196546 | 0.83 | OPRM1 (0.59) | OPRD1OPRM1IL1RNERAP2 | |
| SCHEMBL29199429 | 0.83 | ERAP2 (0.68) | OPRD1OPRM1IL1RNERAP2ACE | |
| SCHEMBL29199418 | 0.83 | ERAP2 (0.68) | OPRD1OPRM1IL1RNERAP2ACE | |
| SCHEMBL29993798 | 0.83 | OPRD1 (0.65) | OPRD1OPRM1IL1RNERAP2CCKAR |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-108017555-B | Beta-hydroxybutyryl-amino acid compound and preparation method and application thereof | 郑州海斯威生物技术有限公司 | 2021-03-26 | — | — | CN | disclosed |