Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TP53 | P04637 | 1/20 | 0.54 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.54 |
| ▸ | NPC1 | O15118 | 2/20 | 0.52 |
| ▸ | CASP3 | P42574 | 1/20 | 0.52 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.52 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.52 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.52 |
| ▸ | ACHE | P22303 | 4/20 | 0.46 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.44 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.44 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.44 |
| ▸ | RELA | Q04206 | 1/20 | 0.43 |
| ▸ | FBP1 | P09467 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL5164988 | 0.79 | ENPP2 (0.56) | TP53TDP1NPC1CASP3SENP8 | |
| SCHEMBL5164991 | 0.79 | ENPP2 (0.56) | TP53TDP1NPC1CASP3SENP8 | |
| SCHEMBL3220925 | 0.78 | TP53 (0.54) | TP53TDP1NPC1CASP3SENP8 | |
| SCHEMBL10543902 | 0.75 | ADAMTS5 (0.46) | TDP1PTGS1PTGS2ALOX5MAPT | |
| SCHEMBL10847619 | 0.75 | PTGS1 (0.46) | TP53TDP1NPC1CASP3SENP8 | |
| SCHEMBL5541299 | 0.75 | — | — | |
| SCHEMBL525893 | 0.74 | NFE2L2 (0.58) | NPC1PTGS1PTGS2RELAFBP1 | |
| SCHEMBL6382576 | 0.74 | LCK (0.52) | FBP1MAPTALDH1A1KMT2AMEN1 | |
| SCHEMBL7216919 | 0.74 | CHRM5 (0.52) | RELAFBP1CYP1A2MAPTALDH1A1 | |
| SCHEMBL1795132 | 0.74 | PTGS1 (0.69) | TP53TDP1NPC1CASP3SENP8 |
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-6531612-B2 | Pyrrolidine-2-carboxylic acid cyano-methyl amide derivatives useful for treating diseases associated with cystein proteases, such as osteoporosis, osteoarthritis, rheumatoid arthritis, tumor metastasis, glomerulonephritis | HOFFMAN-LA ROCHE INC. | 2003-03-11 | — | — | US | disclosed |