Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MCL1 | Q07820 | 7/20 | 0.49 |
| ▸ | SCN9A | Q15858 | 7/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | DHODH | Q02127 | 2/20 | 0.43 |
| ▸ | CA12 | O43570 | 1/20 | 0.42 |
| ▸ | ALPL | P05186 | 1/20 | 0.42 |
| ▸ | RPA1 | P27694 | 1/20 | 0.42 |
| ▸ | BCL2L1 | Q07817 | 1/20 | 0.41 |
| ▸ | BAD | Q92934 | 1/20 | 0.41 |
| ▸ | KMO | O15229 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL29421489 | 0.87 | SCN9A (0.60) | SCN9AKDM4EALDH1A1 | |
| SCHEMBL786999 | 0.87 | SCN9A (0.60) | SCN9AKDM4EALDH1A1 | |
| SCHEMBL787478 | 0.84 | SMN1; SMN2 (0.47) | SCN9AKDM4EALDH1A1 | |
| SCHEMBL787609 | 0.79 | SCN9A (0.51) | SCN9A | |
| SCHEMBL364073 | 0.77 | SCN9A (0.50) | SCN9A | |
| SCHEMBL20876169 | 0.76 | ALOX15 (0.54) | MCL1KDM4EALDH1A1 | |
| SCHEMBL22228652 | 0.74 | TSHR (0.48) | MCL1KDM4EALDH1A1KMO | |
| SCHEMBL17594949 | 0.74 | SCN9A (0.56) | MCL1SCN9AKDM4EALDH1A1CA12 | |
| SCHEMBL793006 | 0.74 | SCN9A (0.79) | SCN9A | |
| SCHEMBL28291362 | 0.73 | MCL1 (0.50) | MCL1SCN9AKDM4EALDH1A1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2616441-A2 | PYRIDINE COMPOUNDS AND THE USES THEREOF | Purdue Pharma LP (US) | 2013-07-24 | — | — | EP | disclosed |
| WO-2012035421-A2 | PYRIDINE COMPOUNDS AND THE USES THEREOF | PURDUE PHARMA L.P. (US) | 2012-03-22 | — | — | WO | disclosed |