Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CASP1 | P29466 | 2/20 | 0.72 |
| ▸ | GAA | P10253 | 1/20 | 0.72 |
| ▸ | TSHR | P16473 | 1/20 | 0.68 |
| ▸ | SLC6A4 | P31645 | 10/20 | 0.59 |
| ▸ | SLC6A3 | Q01959 | 10/20 | 0.59 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.58 |
| ▸ | SLC6A2 | P23975 | 5/20 | 0.57 |
| ▸ | MEN1 | O00255 | 1/20 | 0.57 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.57 |
| ▸ | LMNA | P02545 | 1/20 | 0.55 |
| ▸ | G6PD | P11413 | 1/20 | 0.55 |
| ▸ | HTT | P42858 | 1/20 | 0.54 |
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 | |
|---|---|---|---|---|
| SCHEMBL9260694 | 0.98 | CASP1 (0.70) | CASP1GAATSHRSLC6A4SLC6A3 | |
| SCHEMBL2825463 | 0.97 | CASP1 (0.68) | CASP1GAATSHRSLC6A4SLC6A3 | |
| Hydrochloric Acid SCHEMBL15319722 | 0.95 | CASP1 (0.70) | CASP1GAATSHRSLC6A4SLC6A3 | |
| SCHEMBL35210483 | 0.94 | CASP1 (0.62) | CASP1GAATSHRSLC6A4SLC6A3 | |
| SCHEMBL13896774 | 0.81 | CASP1 (0.67) | CASP1GAATSHRSLC6A4SLC6A3 | |
| SCHEMBL11220215 | 0.81 | CASP1 (0.62) | CASP1GAATSHRSLC6A4SLC6A3 | |
| SCHEMBL557875 | 0.81 | CASP1 (0.62) | CASP1GAATSHRSLC6A4SLC6A3 | |
| SCHEMBL558523 | 0.79 | CASP1 (0.61) | CASP1GAATSHRSLC6A4SLC6A3 | |
| SCHEMBL10073048 | 0.78 | LMNA (0.77) | CASP1GAATSHRALDH1A1MEN1 | |
| SCHEMBL16298335 | 0.78 | SLC6A4 (0.66) | SLC6A4SLC6A3SLC6A2 |
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 |
|---|---|---|---|---|---|---|---|
| US-5405866-A | Administering with cytostatic drugs to treat drug resistant tumors | HOFFMANN-LA ROCHE INC. (US) | 1995-04-11 | — | — | US | disclosed |
| US-5302727-A | For use with antitumor agents | HOFFMANN-LA ROCHE INC. (US) | 1994-04-12 | — | — | US | disclosed |
| EP-0523493-A1 | Dithianes | F. HOFFMANN-LA ROCHE AG (CH) | 1993-01-20 | — | — | EP | disclosed |