Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MMP2 | P08253 | 6/20 | 0.39 |
| ▸ | MMP9 | P14780 | 3/20 | 0.39 |
| ▸ | MMP12 | P39900 | 2/20 | 0.39 |
| ▸ | TSHR | P16473 | 2/20 | 0.39 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.37 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.37 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.37 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.37 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.37 |
| ▸ | MMP3 | P08254 | 2/20 | 0.35 |
| ▸ | MMP1 | P03956 | 2/20 | 0.35 |
| ▸ | TNF | P01375 | 1/20 | 0.35 |
| ▸ | ADAM17 | P78536 | 1/20 | 0.35 |
| ▸ | ECE1 | P42892 | 2/20 | 0.34 |
| ▸ | MMP8 | P22894 | 4/20 | 0.33 |
| ▸ | TRPA1 | O75762 | 2/20 | 0.32 |
| ▸ | CA1 | P00915 | 1/20 | 0.32 |
| ▸ | CA2 | P00918 | 1/20 | 0.32 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.32 |
| ▸ | PDE4A | P27815 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL7744271 | 0.80 | — | — | |
| SCHEMBL5081383 | 0.73 | NAALAD2 (0.46) | TRPA1 | |
| SCHEMBL14795138 | 0.71 | TSHR (0.35) | TSHRTRPA1CHRM1 | |
| SCHEMBL27270005 | 0.70 | — | — | |
| SCHEMBL1129487 | 0.70 | — | — | |
| SCHEMBL5796861 | 0.70 | TRPA1 (0.33) | TSHRTRPA1 | |
| SCHEMBL23019027 | 0.70 | TSHR (0.37) | MMP2MMP9MMP12TSHRHDAC7 | |
| SCHEMBL2814997 | 0.69 | — | — | |
| SCHEMBL1328939 | 0.68 | — | — | |
| SCHEMBL45749 | 0.68 | — | — |
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-20020052028-A1 | Bio-intermediates for use in the chemical synthesis of polyketides | KOSAN BIOSCIENCES, INC. | 2002-05-02 | — | — | US | disclosed |