Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | PDE5A | O76074 | 2/20 | 0.40 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.39 |
| ▸ | ILK | Q13418 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 2/20 | 0.38 |
| ▸ | CA12 | O43570 | 1/20 | 0.37 |
| ▸ | CA9 | Q16790 | 1/20 | 0.37 |
| ▸ | MET | P08581 | 2/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.37 |
| ▸ | KDR | P35968 | 1/20 | 0.36 |
| ▸ | TLR9 | Q9NR96 | 1/20 | 0.36 |
| ▸ | TLR8 | Q9NR97 | 1/20 | 0.36 |
| ▸ | TLR7 | Q9NYK1 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL5740349 | 0.94 | SIGMAR1 (0.40) | ALDH1A1MAPK1PDE5AKDRTLR9 | |
| SCHEMBL1460905 | 0.89 | MAPK14 (0.44) | ALDH1A1MAPK1SMN1; SMN2PDE5AMAPK14 | |
| SCHEMBL5739782 | 0.88 | MAPT (0.36) | ALDH1A1ILKKDM4EPOLBCA12 | |
| SCHEMBL5738334 | 0.87 | KDM4E (0.43) | ALDH1A1KDM4E | |
| SCHEMBL5739297 | 0.84 | MAPT (0.34) | ALDH1A1MAPK14KDM4EMETKDR | |
| SCHEMBL1461097 | 0.83 | SIGMAR1 (0.39) | ALDH1A1MAPK1MAPK14KDR | |
| SCHEMBL5740106 | 0.82 | SYK (0.37) | ALDH1A1SMN1; SMN2MAPK14METKDR | |
| SCHEMBL5740762 | 0.80 | KMT2A (0.32) | ALDH1A1KDM4EPOLBMETKDR | |
| SCHEMBL7206430 | 0.78 | SMN1; SMN2 (0.46) | ALDH1A1MAPK1SMN1; SMN2PDE5AILK | |
| SCHEMBL5739596 | 0.78 | MET (0.39) | MAPK14METKDR |
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 |
|---|---|---|---|---|---|---|---|
| EP-1183033-B1 | PYRROLOTRIAZINE INHIBITORS OF KINASES | BRISTOL MYERS SQUIBB CO (US) | 2006-03-01 | — | — | EP | claimed |