Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2C | P28335 | 3/20 | 0.39 |
| ▸ | KHK | P50053 | 3/20 | 0.37 |
| ▸ | POLB | P06746 | 2/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | UBE2N | P61088 | 1/20 | 0.36 |
| ▸ | PRKCI | P41743 | 2/20 | 0.34 |
| ▸ | PRKCZ | Q05513 | 1/20 | 0.33 |
| ▸ | P2RY12 | Q9H244 | 1/20 | 0.33 |
| ▸ | IDH1 | O75874 | 1/20 | 0.33 |
| ▸ | CCNE1 | P24864 | 1/20 | 0.32 |
| ▸ | CDK2 | P24941 | 1/20 | 0.32 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.32 |
| ▸ | ATM | Q13315 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.32 |
| ▸ | PDE5A | O76074 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL1320037 | 0.92 | KMT2A (0.40) | HTR2CKHKPOLBKMT2AKDM4E | |
| SCHEMBL1321504 | 0.92 | HTR2C (0.41) | HTR2CKHKPOLBKMT2AKDM4E | |
| SCHEMBL1321584 | 0.91 | HTR2C (0.39) | HTR2CKHKPOLBKMT2AKDM4E | |
| SCHEMBL1322137 | 0.91 | HTR2C (0.44) | HTR2CKHKPOLBKMT2AKDM4E | |
| SCHEMBL1321684 | 0.91 | HTR2C (0.39) | HTR2CKHKPOLBKMT2AKDM4E | |
| SCHEMBL1321315 | 0.91 | ALDH1A1 (0.47) | HTR2CKHKPOLBKMT2AKDM4E | |
| SCHEMBL1322234 | 0.90 | HTR2C (0.38) | HTR2CKHKPOLBKMT2AKDM4E | |
| Hydrochloric Acid SCHEMBL1321307 | 0.90 | ALDH1A1 (0.46) | HTR2CKHKPOLBKMT2AKDM4E | |
| SCHEMBL1322612 | 0.88 | ALDH1A1 (0.45) | HTR2CKHKPOLBKMT2AKDM4E | |
| SCHEMBL13513548 | 0.88 | HTR2C (0.38) | HTR2CKHKPOLBKMT2AKDM4E |
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-1773840-B1 | SUBSTITUTED PYRIDO[3',2':4,5]THIENO[3,2-D]PYRIMIDINES AND PYRIDO[3',2':4,5]FURO[3,2-D]-PYRIMIDINES FOR USE AS INHIBITORS OF PDA-4 AND/OR TNF-ALPHA RELEASE | MEDICINES CO LEIPZIG GMBH (DE) | 2010-01-20 | — | — | EP | disclosed |