Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.42 |
| ▸ | PRSS1 | P07477 | 3/20 | 0.41 |
| ▸ | CTSG | P08311 | 2/20 | 0.41 |
| ▸ | CTRB1 | P17538 | 2/20 | 0.41 |
| ▸ | CMA1 | P23946 | 2/20 | 0.41 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.40 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 2/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | CNR2 | P34972 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | HDAC8 | Q9BY41 | 4/20 | 0.37 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.37 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.37 |
| ▸ | MMP2 | P08253 | 1/20 | 0.37 |
| ▸ | MMP9 | P14780 | 1/20 | 0.37 |
| ▸ | MMP12 | P39900 | 1/20 | 0.37 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.37 |
| ▸ | HDAC2 | Q92769 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL786199 | 0.85 | ALDH1A1 (0.45) | ALDH1A1PRSS1CTSGCTRB1CMA1 | |
| SCHEMBL2707979 | 0.84 | ALDH1A1 (0.43) | ALDH1A1PRSS1CTSGCTRB1CMA1 | |
| SCHEMBL19260219 | 0.80 | CA2 (0.46) | ALDH1A1PRSS1CTSGCTRB1CMA1 | |
| SCHEMBL29614441 | 0.75 | PPARG (0.36) | ALDH1A1PRSS1CTSGCTRB1CMA1 | |
| SCHEMBL14680116 | 0.73 | TSHR (0.46) | ALDH1A1TSHRHSD17B10LMNA | |
| SCHEMBL14680108 | 0.73 | TSHR (0.46) | ALDH1A1TSHRHSD17B10LMNA | |
| SCHEMBL21925211 | 0.73 | CA2 (0.50) | — | |
| SCHEMBL168725 | 0.72 | RIPK1 (0.36) | ALDH1A1CNR2 | |
| Dodecane SCHEMBL12471263 | 0.72 | TDP1 (0.77) | ALDH1A1PRSS1CTSGCTRB1CMA1 | |
| SCHEMBL30081056 | 0.72 | HSPD1 (0.49) | ALDH1A1PRSS1CTSGCTRB1CMA1 |
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-111183188-A | Molded article | 古河电气工业株式会社 | 2020-05-19 | — | — | CN | disclosed |