Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 3/20 | 0.50 |
| ▸ | CA2 | P00918 | 3/20 | 0.50 |
| ▸ | CA4 | P22748 | 3/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.48 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | TLR4 | O00206 | 1/20 | 0.31 |
| ▸ | CA6 | P23280 | 2/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | CASP1 | P29466 | 1/20 | 0.31 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.31 |
| ▸ | NPC1 | O15118 | 1/20 | 0.30 |
| ▸ | GAA | P10253 | 1/20 | 0.30 |
| ▸ | RAB9A | P51151 | 1/20 | 0.30 |
| ▸ | CYP2D6 | P10635 | 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 | |
|---|---|---|---|---|
| SCHEMBL30492691 | 0.86 | CA1 (0.50) | CA1CA2CA4KMT2AMCL1 | |
| SCHEMBL20610546 | 0.86 | CA1 (0.50) | CA1CA2CA4KMT2AMCL1 | |
| SCHEMBL873373 | 0.86 | CA1 (0.50) | CA1CA2CA4KMT2AMCL1 | |
| SCHEMBL7873526 | 0.84 | CA1 (0.41) | CA1CA2CA4KMT2AALDH1A1 | |
| SCHEMBL10453882 | 0.84 | KMT2A (0.52) | CA1CA2CA4KMT2AMCL1 | |
| SCHEMBL11457548 | 0.82 | CA1 (0.46) | CA1CA2CA4KMT2AMCL1 | |
| SCHEMBL3938963 | 0.82 | CA1 (0.46) | CA1CA2CA4KMT2AMCL1 | |
| Hydroxyamine SCHEMBL10747806 | 0.80 | CA1 (0.45) | CA1CA2CA4KMT2AMCL1 | |
| SCHEMBL11729637 | 0.80 | KMT2A (0.48) | CA1CA2CA4KMT2AMCL1 | |
| SCHEMBL3884772 | 0.79 | CA1 (0.43) | CA1CA2CA4KMT2AMCL1 |
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 |
|---|---|---|---|---|---|---|---|
| US-6313351-B1 | Process for producing alicyclic monoketones and process for producing alicyclic diketones | HONSHU CHEMICAL INDUSTRY CO., LTD. (JP) | 2001-11-06 | — | — | US | disclosed |