Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CACNA1B | Q00975 | 5/20 | 0.51 |
| ▸ | CTSL | P07711 | 1/20 | 0.45 |
| ▸ | CTSS | P25774 | 1/20 | 0.43 |
| ▸ | CTSK | P43235 | 1/20 | 0.43 |
| ▸ | KLK7 | P49862 | 2/20 | 0.43 |
| ▸ | KLK5 | Q9Y337 | 2/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | SYK | P43405 | 1/20 | 0.41 |
| ▸ | HRH2 | P25021 | 1/20 | 0.41 |
| ▸ | HRH1 | P35367 | 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 | |
|---|---|---|---|---|
| SCHEMBL9042525 | 1.00 | CACNA1B (0.51) | CACNA1BCTSLCTSSCTSKKLK7 | |
| SCHEMBL193279 | 0.84 | CACNA1B (0.52) | CACNA1BCTSSCTSK | |
| SCHEMBL193280 | 0.84 | CACNA1B (0.52) | CACNA1BCTSSCTSK | |
| SCHEMBL192405 | 0.83 | CTSS (0.54) | CTSLCTSSCTSKSYK | |
| SCHEMBL192406 | 0.83 | CTSS (0.54) | CTSLCTSSCTSKSYK | |
| SCHEMBL23837230 | 0.80 | CTSS (0.60) | CTSLCTSSCTSKKLK7KLK5 | |
| SCHEMBL17724519 | 0.80 | CTSS (0.60) | CTSLCTSSCTSKKLK7KLK5 | |
| SCHEMBL9041727 | 0.80 | KDM4E (0.46) | KDM4EKMT2ASMN1; SMN2ALDH1A1 | |
| SCHEMBL9042933 | 0.80 | KDM4E (0.46) | KDM4EKMT2ASMN1; SMN2ALDH1A1 | |
| SCHEMBL4689229 | 0.79 | CTSS (0.53) | CTSLCTSSCTSKKLK7KLK5 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0512352-B1 | Substituted carboxylic acid derivatives | HOFFMANN LA ROCHE (CH) | 1996-03-27 | — | — | EP | disclosed |
| US-5344843-A | Carnitine acryltransferase enzyme inhibitors as antiischemic agents and for cardiovascular disorders | HOFFMAN-LA ROCHE INC. (US) | 1994-09-06 | — | — | US | disclosed |
| EP-0512352-A2 | Substituted carboxylic acid derivatives | F. HOFFMANN-LA ROCHE AG (CH) | 1992-11-11 | — | — | EP | disclosed |