Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | PARP1 | P09874 | 1/20 | 0.31 |
| ▸ | PRKCI | P41743 | 1/20 | 0.31 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.31 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.31 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.31 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.30 |
| ▸ | IDO1 | P14902 | 1/20 | 0.30 |
| ▸ | CDK2 | P24941 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| Naphthalene SCHEMBL338595 | 0.84 | CYP2A6 (0.42) | ALDH1A1PARP1PRKCIPDE4BHSD17B10 | |
| Anthracene SCHEMBL27373164 | 0.80 | ALDH1A1 (0.39) | ALDH1A1HSD17B10TDP1HSP90AA1IDO1 | |
| Pyrazole SCHEMBL28511802 | 0.77 | HSP90AA1 (0.31) | HSP90AA1IDO1CDK2 | |
| Phthalazine SCHEMBL28105918 | 0.77 | HSP90AA1 (0.35) | ALDH1A1PARP1PRKCIPDE4BHSD17B10 | |
| Phenazine SCHEMBL28301634 | 0.76 | MAPT (0.52) | ALDH1A1HSD17B10TDP1 | |
| Pyrazole SCHEMBL5664483 | 0.74 | — | — | |
| SCHEMBL240390 | 0.74 | — | — | |
| SCHEMBL7167764 | 0.74 | CYP2A6 (0.50) | ALDH1A1PARP1HSD17B10TDP1 | |
| Pyrazole SCHEMBL30854861 | 0.74 | — | — | |
| Pyrazole SCHEMBL30626480 | 0.74 | — | — |
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-108395439-A | [chromene is simultaneously for spiral shell（2,3-c）Pyrazoles -4,1 '-isobenzofuran] -3- ketone preparation method | 西南石油大学 | 2018-08-14 | — | — | CN | disclosed |