Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 3/20 | 0.43 |
| ▸ | CA2 | P00918 | 3/20 | 0.43 |
| ▸ | CA7 | P43166 | 2/20 | 0.43 |
| ▸ | CA9 | Q16790 | 2/20 | 0.43 |
| ▸ | CA12 | O43570 | 1/20 | 0.43 |
| ▸ | CA4 | P22748 | 1/20 | 0.43 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.41 |
| ▸ | POLB | P06746 | 3/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | PLIN1 | O60240 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | PLIN5 | Q00G26 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | ABHD5 | Q8WTS1 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 3/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 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 | |
|---|---|---|---|---|
| SCHEMBL17024071 | 0.80 | CA1 (0.50) | CA1CA2CA7CA9CA12 | |
| SCHEMBL25150289 | 0.80 | GAA (0.35) | ALDH1A1CYP2D6GAAL3MBTL1 | |
| SCHEMBL30364535 | 0.80 | GAA (0.35) | ALDH1A1CYP2D6GAAL3MBTL1 | |
| SCHEMBL25150315 | 0.77 | MAPT (0.39) | ALDH1A1MAPTTSHRMGLLSMN1; SMN2 | |
| SCHEMBL25150323 | 0.76 | L3MBTL1 (0.37) | ALDH1A1POLBLMNATSHRCYP1A2 | |
| SCHEMBL30364576 | 0.76 | L3MBTL1 (0.37) | ALDH1A1POLBLMNATSHRCYP1A2 | |
| SCHEMBL25149411 | 0.76 | KMT2A (0.38) | ALDH1A1LMNAMAPTKMT2ATSHR | |
| SCHEMBL7509528 | 0.75 | CA1 (0.48) | CA1CA2CA7CA9CA12 | |
| SCHEMBL6784765 | 0.72 | CA1 (0.50) | CA1CA2CA7CA9CA12 | |
| SCHEMBL30785063 | 0.72 | CA1 (0.50) | CA1CA2CA7CA9CA12 |
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-2023063884-A2 | GENERATION OF CHIRAL SULFINATE ESTERS | NANYANG TECHNOLOGICAL UNIVERSITY (SG) | 2023-04-20 | — | — | WO | disclosed |
| WO-2023063884-A2 | GENERATION OF CHIRAL SULFINATE ESTERS | NANYANG TECHNOLOGICAL UNIVERSITY (SG) | 2023-04-20 | — | — | WO | disclosed |