Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.59 |
| ▸ | GFER | P55789 | 1/20 | 0.59 |
| ▸ | CES2 | O00748 | 1/20 | 0.53 |
| ▸ | CA12 | O43570 | 3/20 | 0.52 |
| ▸ | CA1 | P00915 | 3/20 | 0.52 |
| ▸ | CA2 | P00918 | 3/20 | 0.52 |
| ▸ | CA7 | P43166 | 3/20 | 0.52 |
| ▸ | CA9 | Q16790 | 3/20 | 0.52 |
| ▸ | CA14 | Q9ULX7 | 3/20 | 0.52 |
| ▸ | TSHR | P16473 | 1/20 | 0.52 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.50 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.50 |
| ▸ | PDK4 | Q16654 | 1/20 | 0.50 |
| ▸ | SERPINE1 | P05121 | 1/20 | 0.49 |
| ▸ | ESR1 | P03372 | 2/20 | 0.47 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.47 |
| ▸ | SHBG | P04278 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 2/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL23115286 | 0.77 | CA12 (0.62) | ALDH1A1GFERCES2CA12CA1 | |
| SCHEMBL1329143 | 0.76 | CES2 (0.67) | ALDH1A1GFERCES2CA12CA1 | |
| SCHEMBL5369877 | 0.76 | CES2 (0.67) | ALDH1A1GFERCES2CA12CA1 | |
| SCHEMBL28013376 | 0.76 | CES2 (0.54) | ALDH1A1GFERCES2CA12CA1 | |
| SCHEMBL1303113 | 0.75 | ALDH1A1 (1.00) | ALDH1A1GFERCES2CA12CA1 | |
| SCHEMBL14018060 | 0.75 | CES2 (0.48) | ALDH1A1GFERCES2CA12CA1 | |
| SCHEMBL7549549 | 0.74 | HSP90AB1 (0.70) | ALDH1A1GFERCES2CA12CA1 | |
| SCHEMBL29357695 | 0.71 | CES2 (0.73) | ALDH1A1GFERCES2CA12CA1 | |
| SCHEMBL2156558 | 0.71 | CES2 (1.00) | ALDH1A1GFERCES2CA12CA1 | |
| SCHEMBL39507 | 0.71 | CES2 (0.73) | ALDH1A1GFERCES2CA12CA1 |
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-2021047674-A1 | BICYCLIC COMPOUND THAT ACTS AS CRBN PROTEIN REGULATOR | 南京明德新药研发有限公司 | 2021-03-18 | — | — | WO | disclosed |