Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRM1 | P11229 | 1/20 | 0.40 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.40 |
| ▸ | PCSK9 | Q8NBP7 | 1/20 | 0.40 |
| ▸ | CDK2 | P24941 | 2/20 | 0.38 |
| ▸ | GSK3B | P49841 | 2/20 | 0.38 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.37 |
| ▸ | ICMT | O60725 | 1/20 | 0.36 |
| ▸ | CNR1 | P21554 | 1/20 | 0.36 |
| ▸ | CNR2 | P34972 | 1/20 | 0.36 |
| ▸ | MAOB | P27338 | 1/20 | 0.36 |
| ▸ | GPR84 | Q9NQS5 | 1/20 | 0.35 |
| ▸ | DAO | P14920 | 1/20 | 0.35 |
| ▸ | HTR2A | P28223 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | JAK2 | O60674 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL11068623 | 0.86 | CHRM1 (0.40) | CHRM1PTGS2PCSK9ICMTCNR1 | |
| SCHEMBL11066267 | 0.83 | CHRM1 (0.36) | CHRM1PTGS2PCSK9ICMTCNR1 | |
| SCHEMBL18508882 | 0.81 | ICMT (0.45) | CHRM1PTGS2PCSK9ICMTCNR1 | |
| SCHEMBL11066673 | 0.81 | PTGS2 (0.43) | PTGS2CDK2GSK3BS1PR1CNR2 | |
| SCHEMBL9796473 | 0.80 | PCSK9 (0.41) | CHRM1PTGS2PCSK9GSK3BCNR1 | |
| SCHEMBL11059230 | 0.78 | KDM4E (0.48) | PTGS2CNR2KDM4ELMNAHTT | |
| SCHEMBL21392215 | 0.76 | GSK3B (0.43) | PTGS2PCSK9GSK3BS1PR1LMNA | |
| SCHEMBL11066690 | 0.75 | GPR84 (0.59) | GPR84HTR2AKDM4ELMNAKMT2A | |
| SCHEMBL11398605 | 0.74 | PCSK9 (0.38) | CHRM1PCSK9ICMTCNR1CNR2 | |
| SCHEMBL1093791 | 0.74 | PTGS2 (0.40) | PTGS2PCSK9ICMTGPR84HTR2A |
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 |
|---|---|---|---|---|---|---|---|
| US-4447435-A | HYPOTENSIVE AGENTS | THE BOOTS COMPANY PLC (GB) | 1984-05-08 | — | — | US | disclosed |
| US-4442109-A | 3-Methylthiomethyl-and 3-methylsulfinylmethyl-4-quinolinones useful for treating hypertension | THE BOOTS COMPANY LIMITED (GB) | 1984-04-10 | — | — | US | disclosed |