Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 6/20 | 0.71 |
| ▸ | MEN1 | O00255 | 5/20 | 0.71 |
| ▸ | POLB | P06746 | 3/20 | 0.71 |
| ▸ | HTT | P42858 | 4/20 | 0.69 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.69 |
| ▸ | NPC1 | O15118 | 1/20 | 0.69 |
| ▸ | RAB9A | P51151 | 1/20 | 0.69 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.68 |
| ▸ | GAA | P10253 | 4/20 | 0.68 |
| ▸ | LMNA | P02545 | 3/20 | 0.68 |
| ▸ | MAPT | P10636 | 4/20 | 0.64 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.63 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.57 |
| ▸ | PKM | P14618 | 2/20 | 0.56 |
| ▸ | HPGD | P15428 | 1/20 | 0.55 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.55 |
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 | |
|---|---|---|---|---|
| SCHEMBL7762106 | 0.83 | NPC1 (0.97) | KMT2AMEN1POLBHTTSMN1; SMN2 | |
| SCHEMBL5370512 | 0.80 | KMT2A (0.59) | KMT2AMEN1POLBHTTSMN1; SMN2 | |
| SCHEMBL23951675 | 0.79 | KMT2A (0.67) | KMT2AMEN1POLBHTTSMN1; SMN2 | |
| SCHEMBL4197501 | 0.79 | KDM4E (0.69) | KMT2AMEN1HTTSMN1; SMN2ALDH1A1 | |
| SCHEMBL5370503 | 0.78 | ALDH1A1 (0.77) | KMT2AMEN1POLBSMN1; SMN2ALDH1A1 | |
| SCHEMBL5217325 | 0.77 | KDM4E (0.68) | KMT2AMEN1HTTSMN1; SMN2ALDH1A1 | |
| SCHEMBL6559744 | 0.77 | KDM4E (0.68) | KMT2AMEN1HTTSMN1; SMN2ALDH1A1 | |
| SCHEMBL23951454 | 0.77 | NPC1 (0.47) | KMT2AMEN1POLBHTTSMN1; SMN2 | |
| SCHEMBL23951678 | 0.77 | GAA (0.85) | KMT2AMEN1POLBHTTSMN1; SMN2 | |
| SCHEMBL29350885 | 0.76 | DPP4 (0.57) | KMT2AMEN1POLBHTTSMN1; SMN2 |
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 |