Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.51 |
| ▸ | CAPN1 | P07384 | 2/20 | 0.50 |
| ▸ | CTSL | P07711 | 1/20 | 0.50 |
| ▸ | CTSB | P07858 | 1/20 | 0.50 |
| ▸ | CNR2 | P34972 | 1/20 | 0.49 |
| ▸ | CDC25B | P30305 | 2/20 | 0.48 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.46 |
| ▸ | NQO2 | P16083 | 2/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
| ▸ | RELA | Q04206 | 1/20 | 0.44 |
| ▸ | PPARA | Q07869 | 1/20 | 0.44 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL7322975 | 1.00 | TSHR (0.51) | TSHRCAPN1CTSLCTSBCNR2 | |
| SCHEMBL7790064 | 0.83 | TSHR (0.61) | TSHRCDC25BALDH1A1HSD17B10 | |
| SCHEMBL27533745 | 0.83 | TSHR (0.61) | TSHRCDC25BALDH1A1HSD17B10 | |
| SCHEMBL7324455 | 0.82 | CYP1A1 (0.58) | TSHRCAPN1ALDH1A1 | |
| SCHEMBL7324446 | 0.82 | CYP1A1 (0.58) | TSHRCAPN1ALDH1A1 | |
| Hydrochloric Acid SCHEMBL6800822 | 0.81 | TSHR (0.44) | TSHRCNR2CDC25BPTGS1ALDH1A1 | |
| Dimethylamine SCHEMBL1335350 | 0.80 | TSHR (0.53) | TSHRCDC25BALDH1A1HSD17B10 | |
| SCHEMBL9000589 | 0.79 | TSHR (0.59) | TSHRCDC25BALDH1A1HSD17B10 | |
| SCHEMBL9000587 | 0.79 | TSHR (0.59) | TSHRCDC25BALDH1A1HSD17B10 | |
| SCHEMBL7322163 | 0.79 | GRIK1 (0.59) | CAPN1CTSLCTSBPTGS1RELA |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6251917-B1 | Benzamidoaldehydes and their use as cysteine protease inhibitors | BASF AKTIENGESELLSCHAFT (DE) | 2001-06-26 | — | — | US | disclosed |
| US-6103720-A | ENZYME INHIBITORS; ANTIICHEMIC AND -TUMOR AGENTS; STROKES; ALZEIMER'S DISEASE | BASF AKTIENGESELLSCHAFT (DE) | 2000-08-15 | — | — | US | disclosed |
| CN-1245486-A | Ketobenzamides as calpain inhibitors | BASF AG (DE) | 2000-02-23 | — | — | CN | disclosed |
| CN-1238761-A | benzamide aldehydes and their use as cysteine protease inhibitors | BASF AG (DE) | 1999-12-15 | — | — | CN | disclosed |