Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC17A5 | Q9NRA2 | 1/20 | 0.43 |
| ▸ | CASP1 | P29466 | 10/20 | 0.41 |
| ▸ | MDM4 | O15151 | 1/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | PPARA | Q07869 | 4/20 | 0.37 |
| ▸ | PPARG | P37231 | 2/20 | 0.37 |
| ▸ | CASP3 | P42574 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 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 | |
|---|---|---|---|---|
| SCHEMBL6989365 | 0.92 | CASP1 (0.48) | SLC17A5CASP1MDM4TP53PPARA | |
| SCHEMBL8139788 | 0.92 | CASP1 (0.48) | SLC17A5CASP1MDM4TP53PPARA | |
| SCHEMBL19888241 | 0.82 | SLC17A5 (0.58) | SLC17A5MDM4TP53CASP3 | |
| SCHEMBL8139785 | 0.80 | CYP3A4 (0.36) | CASP1CASP3ALDH1A1 | |
| SCHEMBL14063754 | 0.80 | PPARA (0.58) | SLC17A5CASP1MDM4TP53PPARA | |
| SCHEMBL29398655 | 0.79 | TLR2 (0.48) | SLC17A5CASP1MDM4TP53CASP3 | |
| SCHEMBL24037465 | 0.79 | IDO1 (0.48) | SLC17A5CASP3ALDH1A1 | |
| SCHEMBL29816729 | 0.79 | MDM4 (0.49) | CASP1MDM4TP53CASP3 | |
| SCHEMBL12707588 | 0.78 | SLC17A5 (0.47) | SLC17A5MDM4TP53PPARAPPARG | |
| SCHEMBL2399667 | 0.78 | SLC17A5 (0.47) | SLC17A5MDM4TP53PPARAPPARG |
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-7420051-B2 | Antitumor agents; microbiocides; antibiotics; forming a 1,4 bridge using a 1-labile, 10-hydroxy, 18-protected hydroxyl, di-6,8-en-5-one fused ring compound. After formation of the 1,4 brige, C-18 protection is removed before spiroamine introduction | PHARMA MAR, S.A. (ES) | 2008-09-02 | — | — | US | disclosed |