Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 3/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.43 |
| ▸ | MAPT | P10636 | 2/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | CA2 | P00918 | 1/20 | 0.41 |
| ▸ | CA5A | P35218 | 1/20 | 0.41 |
| ▸ | PPARA | Q07869 | 2/20 | 0.41 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.40 |
| ▸ | PPARG | P37231 | 1/20 | 0.39 |
| ▸ | ATM | Q13315 | 1/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | PARP1 | P09874 | 1/20 | 0.38 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.38 |
| ▸ | DRD2 | P14416 | 1/20 | 0.38 |
| ▸ | DRD1 | P21728 | 1/20 | 0.38 |
| ▸ | DRD4 | P21917 | 1/20 | 0.38 |
| ▸ | DRD5 | P21918 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL2967626 | 0.87 | MEN1 (0.40) | MEN1KMT2AKDM4EMAPTGAA | |
| SCHEMBL6875188 | 0.86 | MEN1 (0.56) | MEN1KMT2AKDM4EMAPTGAA | |
| SCHEMBL3285647 | 0.80 | SIGMAR1 (0.39) | ALDH1A1SIGMAR1DRD2 | |
| SCHEMBL4972696 | 0.74 | CA2 (0.49) | MAPTCA2CA5APPARASIGMAR1 | |
| SCHEMBL31260287 | 0.74 | CA2 (0.49) | MAPTCA2CA5APPARASIGMAR1 | |
| SCHEMBL16150372 | 0.72 | SIGMAR1 (0.36) | CA2ALDH1A1SIGMAR1DRD2LMNA | |
| SCHEMBL21461844 | 0.72 | PIN1 (0.39) | MEN1KMT2AKDM4EMAPTGAA | |
| SCHEMBL31367619 | 0.72 | PIN1 (0.39) | MEN1KMT2AKDM4EMAPTGAA | |
| SCHEMBL29773109 | 0.72 | PPARA (0.44) | CA2CA5APPARAPPARG | |
| SCHEMBL13005016 | 0.70 | DRD2 (0.51) | KMT2ACA2CA5APPARASIGMAR1 |
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-1414476-A1 | BAUHINIA EXTRACTS | MERCK PATENT GmbH (DE) | 2004-05-06 | — | — | EP | disclosed |
| WO-2003011311-A1 | BAUHINIA EXTRACTS | MERCK PATENT GMBH (DE) | 2003-02-13 | — | — | WO | disclosed |