Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NAMPT | P43490 | 2/20 | 0.49 |
| ▸ | CTRC | Q99895 | 1/20 | 0.49 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.47 |
| ▸ | CAPN1 | P07384 | 1/20 | 0.46 |
| ▸ | CASP3 | P42574 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.45 |
| ▸ | ECE1 | P42892 | 1/20 | 0.44 |
| ▸ | GPR132 | Q9UNW8 | 3/20 | 0.44 |
| ▸ | CMKLR2 | P46091 | 1/20 | 0.44 |
| ▸ | CMKLR1 | Q99788 | 1/20 | 0.44 |
| ▸ | EGFR | P00533 | 1/20 | 0.44 |
| ▸ | FGFR1 | P11362 | 1/20 | 0.44 |
| ▸ | KDR | P35968 | 1/20 | 0.44 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.44 |
| ▸ | TBXAS1 | P24557 | 1/20 | 0.44 |
| ▸ | SNCA | P37840 | 1/20 | 0.44 |
| ▸ | CTSD | P07339 | 1/20 | 0.44 |
| ▸ | BACE1 | P56817 | 1/20 | 0.44 |
| ▸ | BACE2 | Q9Y5Z0 | 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 | |
|---|---|---|---|---|
| SCHEMBL7790035 | 1.00 | NAMPT (0.49) | NAMPTCTRCTDP1ALDH1A1CAPN1 | |
| SCHEMBL7782239 | 0.90 | CAPN1 (0.53) | CAPN1KMT2AEGFRFGFR1KDR | |
| SCHEMBL7378076 | 0.90 | CAPN1 (0.53) | CAPN1KMT2AEGFRFGFR1KDR | |
| SCHEMBL7787082 | 0.84 | NAMPT (0.46) | NAMPTTDP1ALDH1A1CAPN1SNCA | |
| SCHEMBL7787084 | 0.84 | NAMPT (0.46) | NAMPTTDP1ALDH1A1CAPN1SNCA | |
| SCHEMBL7782218 | 0.83 | AKR1C3 (0.53) | ALDH1A1CAPN1KMT2A | |
| SCHEMBL7782219 | 0.83 | AKR1C3 (0.53) | ALDH1A1CAPN1KMT2A | |
| SCHEMBL7786973 | 0.81 | FABP1 (0.49) | ALDH1A1KMT2A | |
| SCHEMBL7786970 | 0.81 | FABP1 (0.49) | ALDH1A1KMT2A | |
| SCHEMBL20095309 | 0.80 | CTRC (0.71) | CTRCCAPN1KMT2AECE1GPR132 |
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-6251917-B1 | Benzamidoaldehydes and their use as cysteine protease inhibitors | BASF AKTIENGESELLSCHAFT (DE) | 2001-06-26 | — | — | US | disclosed |