Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTPN1 | P18031 | 2/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 6/20 | 0.44 |
| ▸ | HPGD | P15428 | 3/20 | 0.41 |
| ▸ | LMNA | P02545 | 2/20 | 0.41 |
| ▸ | RAB9A | P51151 | 5/20 | 0.40 |
| ▸ | GAA | P10253 | 3/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | NPC1 | O15118 | 3/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL10898800 | 0.72 | ALDH1A1 (0.34) | GAAALDH1A1NPC1MAPTKDM4E | |
| SCHEMBL778896 | 0.71 | PTPN1 (0.45) | PTPN1SMN1; SMN2HPGDLMNARAB9A | |
| SCHEMBL13178829 | 0.67 | PTPN1 (0.68) | PTPN1SMN1; SMN2HPGDLMNARAB9A | |
| SCHEMBL21765873 | 0.67 | PTPN1 (0.88) | PTPN1SMN1; SMN2HPGDLMNARAB9A | |
| SCHEMBL776246 | 0.66 | PTPN1 (0.42) | PTPN1SMN1; SMN2HPGDLMNARAB9A | |
| SCHEMBL27404748 | 0.65 | GAA (0.48) | PTPN1SMN1; SMN2HPGDLMNARAB9A | |
| SCHEMBL17515331 | 0.64 | HPGD (0.47) | PTPN1SMN1; SMN2HPGDLMNAGAA | |
| SCHEMBL12284941 | 0.64 | SMN1; SMN2 (0.59) | PTPN1SMN1; SMN2HPGDLMNARAB9A | |
| SCHEMBL3021548 | 0.63 | LMNA (0.86) | PTPN1SMN1; SMN2HPGDLMNARAB9A | |
| SCHEMBL20964580 | 0.62 | HPGD (0.73) | SMN1; SMN2HPGDLMNARAB9AGAA |
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 |