Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | CA12 | O43570 | 5/20 | 0.39 |
| ▸ | CA1 | P00915 | 5/20 | 0.39 |
| ▸ | CA2 | P00918 | 5/20 | 0.39 |
| ▸ | CA9 | Q16790 | 5/20 | 0.39 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.38 |
| ▸ | NLRP3 | Q96P20 | 2/20 | 0.36 |
| ▸ | BCHE | P06276 | 1/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | THRB | P10828 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.32 |
| ▸ | FYN | P06241 | 1/20 | 0.32 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.32 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.32 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.32 |
| ▸ | DRD4 | P21917 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL22194032 | 1.00 | ALDH1A1 (0.41) | ALDH1A1CA12CA1CA2CA9 | |
| SCHEMBL18756620 | 1.00 | ALDH1A1 (0.41) | ALDH1A1CA12CA1CA2CA9 | |
| SCHEMBL12942089 | 0.87 | ALDH1A1 (0.39) | ALDH1A1CA12CA1CA2CA9 | |
| SCHEMBL24264476 | 0.86 | ALDH1A1 (0.38) | ALDH1A1CA12CA1CA2CA9 | |
| SCHEMBL24943597 | 0.82 | CA12 (0.38) | ALDH1A1CA12CA1CA2CA9 | |
| SCHEMBL24777143 | 0.82 | CA12 (0.38) | ALDH1A1CA12CA1CA2CA9 | |
| SCHEMBL23982459 | 0.81 | ALDH1A1 (0.42) | ALDH1A1CA12CA1CA2CA9 | |
| SCHEMBL16263057 | 0.81 | ALDH1A1 (0.42) | ALDH1A1CA12CA1CA2CA9 | |
| SCHEMBL23982209 | 0.81 | ALDH1A1 (0.42) | ALDH1A1CA12CA1CA2CA9 | |
| SCHEMBL19976411 | 0.81 | BCHE (0.46) | ALDH1A1BCHETSHR |
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 |
|---|---|---|---|---|---|---|---|
| WO-2020034987-A1 | PRODRUG CONTAINING GLUCURONIDE DERIVATIVE OF JAK INHIBITOR, PREPARATION METHOD THEREFOR, AND USES THEREOF | 江苏豪森药业集团有限公司 | 2020-02-20 | — | — | WO | disclosed |
| EP-3342796-A1 | SUBSTITUTED POLYESTERS BY THIOL-ENE MODIFICATION: RAPID DIVERSIFICATION FOR THERAPEUTIC PROTEIN STABILIZATION | The Regents of The University of California (US) | 2018-07-04 | — | — | EP | disclosed |