Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CASP1 | P29466 | 14/20 | 0.48 |
| ▸ | SLC17A5 | Q9NRA2 | 1/20 | 0.47 |
| ▸ | MDM4 | O15151 | 1/20 | 0.44 |
| ▸ | TP53 | P04637 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | PPARG | P37231 | 1/20 | 0.42 |
| ▸ | PPARA | Q07869 | 1/20 | 0.42 |
| ▸ | CASP3 | P42574 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL8139788 | 1.00 | CASP1 (0.48) | CASP1SLC17A5MDM4TP53ALDH1A1 | |
| SCHEMBL14063770 | 0.92 | SLC17A5 (0.43) | CASP1SLC17A5MDM4TP53ALDH1A1 | |
| SCHEMBL19888241 | 0.87 | SLC17A5 (0.58) | SLC17A5MDM4TP53CASP3 | |
| SCHEMBL14063754 | 0.85 | PPARA (0.58) | CASP1SLC17A5MDM4TP53PPARG | |
| SCHEMBL17633384 | 0.85 | SLC17A5 (0.49) | CASP1SLC17A5MDM4TP53CASP3 | |
| SCHEMBL13716717 | 0.84 | SLC17A5 (0.48) | CASP1SLC17A5MDM4TP53CASP3 | |
| SCHEMBL12707588 | 0.83 | SLC17A5 (0.47) | SLC17A5MDM4TP53PPARGPPARA | |
| SCHEMBL2399667 | 0.83 | SLC17A5 (0.47) | SLC17A5MDM4TP53PPARGPPARA | |
| SCHEMBL28259215 | 0.83 | MDM4 (0.50) | CASP1SLC17A5MDM4TP53CASP3 | |
| SCHEMBL28259217 | 0.83 | MDM4 (0.50) | CASP1SLC17A5MDM4TP53CASP3 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0931083-B1 | PROCESS FOR PRODUCING ECTEINASCIDIN COMPOUNDS | HARVARD COLLEGE (US) | 2003-02-19 | — | — | EP | claimed |
| US-5721362-A | Process for producing ecteinascidin compounds | PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) | 1998-02-24 | — | — | US | claimed |
| 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 |
| EP-0931083-B1 | PROCESS FOR PRODUCING ECTEINASCIDIN COMPOUNDS | HARVARD COLLEGE (US) | 2003-02-19 | — | — | EP | disclosed |
| US-5721362-A | Process for producing ecteinascidin compounds | PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) | 1998-02-24 | — | — | US | disclosed |