Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS1 | P23219 | 2/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.42 |
| ▸ | CYP2A6 | P11509 | 3/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | ALDH5A1 | P51649 | 1/20 | 0.41 |
| ▸ | ABAT | P80404 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.41 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.41 |
| ▸ | CA12 | O43570 | 1/20 | 0.41 |
| ▸ | CA1 | P00915 | 1/20 | 0.41 |
| ▸ | CA2 | P00918 | 1/20 | 0.41 |
| ▸ | CA9 | Q16790 | 1/20 | 0.41 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.39 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 2/20 | 0.38 |
| ▸ | RAB9A | P51151 | 2/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | GFER | P55789 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 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 | |
|---|---|---|---|---|
| SCHEMBL5469857 | 0.88 | CYP2A6 (0.50) | KMT2ACYP2A6HSD17B10ALDH5A1ABAT | |
| SCHEMBL3074403 | 0.88 | CYP2A6 (0.50) | KMT2ACYP2A6HSD17B10ALDH5A1ABAT | |
| SCHEMBL2964 | 0.85 | — | — | |
| SCHEMBL27518487 | 0.83 | PTGS1 (0.52) | PTGS1KMT2ACYP2A6HSD17B10ALDH5A1 | |
| SCHEMBL27803389 | 0.83 | PTGS1 (0.52) | PTGS1KMT2ACYP2A6HSD17B10ALDH5A1 | |
| Hydrochloric Acid SCHEMBL2831797 | 0.83 | PTGS1 (0.52) | PTGS1KMT2ACYP2A6HSD17B10ALDH5A1 | |
| SCHEMBL27434835 | 0.83 | PTGS1 (0.52) | PTGS1KMT2ACYP2A6HSD17B10ALDH5A1 | |
| Ammonia Solution, Strong SCHEMBL27779568 | 0.83 | PTGS1 (0.52) | PTGS1KMT2ACYP2A6HSD17B10ALDH5A1 | |
| SCHEMBL5114953 | 0.80 | SLC22A2 (0.50) | KMT2AALDH1A1L3MBTL1CA1CA2 | |
| SCHEMBL5114955 | 0.80 | SLC22A2 (0.50) | KMT2AALDH1A1L3MBTL1CA1CA2 |
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-114835716-A | Benzodiazepine pyrrole compound and preparation method and application thereof | 徐州医科大学 | 2022-08-02 | — | — | CN | disclosed |