Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | CA12 | O43570 | 2/20 | 0.35 |
| ▸ | CA1 | P00915 | 2/20 | 0.35 |
| ▸ | CA2 | P00918 | 2/20 | 0.35 |
| ▸ | CA6 | P23280 | 2/20 | 0.35 |
| ▸ | CA7 | P43166 | 2/20 | 0.35 |
| ▸ | CA9 | Q16790 | 2/20 | 0.35 |
| ▸ | CA13 | Q8N1Q1 | 2/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.33 |
| ▸ | GLA | P06280 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL15961562 | 0.75 | HSD17B10 (0.36) | KMT2AKDM4EHTTSMN1; SMN2HSD17B10 | |
| SCHEMBL13977919 | 0.73 | HSD17B10 (0.37) | KMT2AKDM4EHTTSMN1; SMN2HPGD | |
| SCHEMBL28013237 | 0.71 | RAB9A (0.43) | KMT2AHTTALDH1A1SMN1; SMN2HPGD | |
| Quinoline SCHEMBL28013835 | 0.70 | P2RY14 (0.41) | KMT2AKDM4EHTTTSHRALDH1A1 | |
| SCHEMBL13977727 | 0.69 | HTT (0.37) | KMT2AKDM4EHTTALDH1A1SMN1; SMN2 | |
| SCHEMBL23881997 | 0.69 | GAA (0.47) | KMT2AKDM4ETSHRALDH1A1SMN1; SMN2 | |
| SCHEMBL28013817 | 0.68 | MTNR1A (0.43) | KMT2ACA1CA2ALDH1A1GAA | |
| SCHEMBL4896827 | 0.67 | KMT2A (0.38) | KMT2AKDM4EHTTTSHRALDH1A1 | |
| SCHEMBL13977924 | 0.67 | HTT (0.35) | KMT2AKDM4EHTTALDH1A1SMN1; SMN2 | |
| SCHEMBL1327770 | 0.66 | KMT2A (0.61) | KMT2AHTTTSHRCA12CA1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1446115-A4 | CYANOALKYLAMINO DERIVATIVES AS PROTEASE INHIBITORS | MERCK FROSST CANADA INC (CA) | 2005-02-02 | — | — | EP | disclosed |
| EP-1446115-A2 | CYANOALKYLAMINO DERIVATIVES AS PROTEASE INHIBITORS | Merck Frosst Canada & Co. (CA) | 2004-08-18 | — | — | EP | disclosed |
| WO-2003041649-A2 | CYANOALKYLAMINO DERIVATIVES AS PROTEASE INHIBITORS | MERCK FROSST CANADA & CO. (CA) | 2003-05-22 | — | — | WO | disclosed |