Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.58 |
| ▸ | MMP2 | P08253 | 2/20 | 0.44 |
| ▸ | MMP9 | P14780 | 2/20 | 0.44 |
| ▸ | MMP8 | P22894 | 2/20 | 0.44 |
| ▸ | KISS1R | Q969F8 | 1/20 | 0.42 |
| ▸ | MMP1 | P03956 | 1/20 | 0.40 |
| ▸ | REN | P00797 | 2/20 | 0.40 |
| ▸ | SIRT5 | Q9NXA8 | 1/20 | 0.40 |
| ▸ | CPA1 | P15085 | 2/20 | 0.40 |
| ▸ | CPA2 | P48052 | 2/20 | 0.40 |
| ▸ | CPA4 | Q9UI42 | 2/20 | 0.40 |
| ▸ | CPB1 | P15086 | 1/20 | 0.40 |
| ▸ | ACE2 | Q9BYF1 | 1/20 | 0.40 |
| ▸ | HPGDS | O60760 | 1/20 | 0.40 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.39 |
| ▸ | ERAP2 | Q6P179 | 1/20 | 0.39 |
| ▸ | ERAP1 | Q9NZ08 | 1/20 | 0.39 |
| ▸ | LNPEP | Q9UIQ6 | 1/20 | 0.39 |
| ▸ | CNR2 | P34972 | 1/20 | 0.39 |
| ▸ | FURIN | P09958 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL30493601 | 1.00 | ALDH1A1 (0.58) | ALDH1A1MMP2MMP9MMP8KISS1R | |
| SCHEMBL7669784 | 0.92 | ALDH1A1 (0.67) | ALDH1A1MMP2MMP9MMP8HPGDS | |
| SCHEMBL7669779 | 0.92 | ALDH1A1 (0.67) | ALDH1A1MMP2MMP9MMP8HPGDS | |
| SCHEMBL15810880 | 0.92 | ALDH1A1 (0.67) | ALDH1A1MMP2MMP9MMP8HPGDS | |
| SCHEMBL20951073 | 0.91 | ALDH1A1 (0.53) | ALDH1A1MMP2MMP9MMP8KISS1R | |
| SCHEMBL22367131 | 0.91 | ALDH1A1 (0.53) | ALDH1A1MMP2MMP9MMP8KISS1R | |
| SCHEMBL20951072 | 0.91 | ALDH1A1 (0.53) | ALDH1A1MMP2MMP9MMP8KISS1R | |
| SCHEMBL20950949 | 0.89 | ALDH1A1 (0.50) | ALDH1A1MMP2MMP9MMP8KISS1R | |
| SCHEMBL22367094 | 0.89 | ALDH1A1 (0.50) | ALDH1A1MMP2MMP9MMP8KISS1R | |
| SCHEMBL20950951 | 0.89 | ALDH1A1 (0.50) | ALDH1A1MMP2MMP9MMP8KISS1R |
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 |
|---|---|---|---|---|---|---|---|
| WO-2013067415-A1 | IDENTIFICATION AND USE OF PROTEASE INHIBITORS TO TREAT OR PREVENT SICKLE CELL DISEASE | TUFTS UNIVERSITY (US) | 2013-05-10 | — | — | WO | disclosed |