Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.59 |
| ▸ | PTGS2 | P35354 | 3/20 | 0.54 |
| ▸ | CA2 | P00918 | 3/20 | 0.54 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.54 |
| ▸ | CA9 | Q16790 | 2/20 | 0.54 |
| ▸ | CA12 | O43570 | 1/20 | 0.54 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.49 |
| ▸ | L3MBTL1 | Q9Y468 | 4/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.47 |
| ▸ | MEN1 | O00255 | 2/20 | 0.47 |
| ▸ | MAPT | P10636 | 2/20 | 0.47 |
| ▸ | THRB | P10828 | 2/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.47 |
| ▸ | TP53 | P04637 | 1/20 | 0.47 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.47 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL10013522 | 1.00 | ALDH1A1 (0.59) | ALDH1A1PTGS2CA2PTGS1CA9 | |
| SCHEMBL7775979 | 0.92 | CYP2C9 (0.55) | ALDH1A1PTGS2CA2PTGS1CA9 | |
| SCHEMBL25491825 | 0.87 | ALDH1A1 (0.61) | ALDH1A1PTGS2CA2PTGS1CA9 | |
| SCHEMBL12633723 | 0.86 | ALDH1A1 (0.74) | ALDH1A1PTGS2CA2PTGS1CA9 | |
| SCHEMBL11588746 | 0.86 | ALDH1A1 (0.74) | ALDH1A1PTGS2CA2PTGS1CA9 | |
| SCHEMBL20186922 | 0.86 | ALDH1A1 (0.74) | ALDH1A1PTGS2CA2PTGS1CA9 | |
| SCHEMBL255410 | 0.86 | ALDH1A1 (0.74) | ALDH1A1PTGS2CA2PTGS1CA9 | |
| SCHEMBL11557679 | 0.86 | ALDH1A1 (0.74) | ALDH1A1PTGS2CA2PTGS1CA9 | |
| SCHEMBL10013520 | 0.86 | ALDH1A1 (0.56) | ALDH1A1PTGS2CA2PTGS1CA9 | |
| SCHEMBL28883303 | 0.84 | CA1 (0.53) | ALDH1A1CA2CA9CA12CYP2C9 |
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-113861065-B | Method for preparing asymmetric imine or asymmetric secondary amine compound by photocatalysis | 苏州大学张家港工业技术研究院 | 2023-09-26 | — | — | CN | disclosed |