Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 1/20 | 0.53 |
| ▸ | MMP8 | P22894 | 3/20 | 0.49 |
| ▸ | MMP13 | P45452 | 3/20 | 0.49 |
| ▸ | MMP1 | P03956 | 2/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.49 |
| ▸ | TSHR | P16473 | 2/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.49 |
| ▸ | GAA | P10253 | 1/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
| ▸ | MCOLN3 | Q8TDD5 | 1/20 | 0.45 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.45 |
| ▸ | CA12 | O43570 | 1/20 | 0.45 |
| ▸ | CA1 | P00915 | 1/20 | 0.45 |
| ▸ | CA2 | P00918 | 1/20 | 0.45 |
| ▸ | CA3 | P07451 | 1/20 | 0.45 |
| ▸ | CA6 | P23280 | 1/20 | 0.45 |
| ▸ | CA5A | P35218 | 1/20 | 0.45 |
| ▸ | CA7 | P43166 | 1/20 | 0.45 |
| ▸ | CA9 | Q16790 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL14227971 | 0.96 | ALDH1A1 (0.53) | ACHEMMP8MMP13MMP1ALDH1A1 | |
| SCHEMBL11507747 | 0.94 | ALDH1A1 (0.56) | ACHEMMP8MMP13MMP1ALDH1A1 | |
| SCHEMBL5761130 | 0.91 | GAA (0.52) | ACHEMMP8MMP13MMP1ALDH1A1 | |
| SCHEMBL20609335 | 0.89 | ACHE (0.49) | ACHEMMP8MMP13MMP1ALDH1A1 | |
| SCHEMBL12807878 | 0.84 | ACHE (0.46) | ACHEMMP13ALDH1A1TSHRCYP3A4 | |
| SCHEMBL27981546 | 0.84 | GAA (0.45) | ACHEMMP8MMP13MMP1ALDH1A1 | |
| SCHEMBL5319901 | 0.82 | MMP13 (0.45) | ACHEMMP13MMP1ALDH1A1TSHR | |
| SCHEMBL2303097 | 0.82 | GAA (0.43) | ACHEMMP13ALDH1A1TSHRCYP3A4 | |
| SCHEMBL12017803 | 0.82 | HTR6 (0.46) | ACHEALDH1A1TSHRCYP3A4GAA | |
| SCHEMBL31435684 | 0.82 | GAA (0.43) | ACHEMMP8MMP13MMP1ALDH1A1 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2021058444-A1 | HETEROCYCLIC COMPOUNDS | F. HOFFMANN-LA ROCHE AG (CH) | 2021-04-01 | — | — | WO | disclosed |
| EP-2048954-B1 | AN ISOLATED DNA FRAGMENT OF THE SPARC HUMAN PROMOTER AND ITS USE | INIS BIOTECH LLC (US) | 2012-03-28 | — | — | EP | disclosed |
| US-20110152512-A1 | CYCLODEXTRIN-BASED POLYMERS FOR THERAPEUTICS DELIVERY | CERULEAN PHARMA INC. | 2011-06-23 | — | — | US | disclosed |
| WO-2011031865-A1 | CYCLODEXTRIN-BASED POLYMERS FOR THERAPEUTIC DELIVERY | CERULEAN PHARMA INC. (US) | 2011-03-17 | — | — | WO | disclosed |
| US-7735685-B2 | Dispensing system with in line chemical pump system | INTELLIPACK (US) | 2010-06-15 | — | — | US | disclosed |