Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 1/20 | 0.43 |
| ▸ | CDK2 | P24941 | 2/20 | 0.42 |
| ▸ | GSK3B | P49841 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.36 |
| ▸ | ESR1 | P03372 | 2/20 | 0.36 |
| ▸ | MAOB | P27338 | 1/20 | 0.36 |
| ▸ | GPR84 | Q9NQS5 | 1/20 | 0.35 |
| ▸ | DAO | P14920 | 1/20 | 0.35 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.35 |
| ▸ | CNR2 | P34972 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | PLK1 | P53350 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL11068457 | 0.86 | PTGS2 (0.39) | PTGS2CDK2GSK3BKDM4EALDH1A1 | |
| SCHEMBL11072515 | 0.83 | CDK2 (0.38) | PTGS2CDK2GSK3BKDM4EALDH1A1 | |
| SCHEMBL11066610 | 0.81 | CHRM1 (0.40) | PTGS2CDK2GSK3BKDM4EMAOB | |
| SCHEMBL11059230 | 0.78 | KDM4E (0.48) | PTGS2KDM4EALDH1A1HPGDCNR2 | |
| SCHEMBL20588288 | 0.77 | PNMT (0.46) | PTGS2CDK2ESR1GPR84 | |
| SCHEMBL18509550 | 0.76 | CDK2 (0.51) | PTGS2CDK2GSK3BKDM4EHPGD | |
| SCHEMBL11066690 | 0.75 | GPR84 (0.59) | KDM4EALDH1A1GPR84LMNAL3MBTL1 | |
| SCHEMBL1092203 | 0.74 | PTGS2 (0.43) | PTGS2CDK2RXFP1GPR84MEN1 | |
| SCHEMBL25361432 | 0.73 | MAPT (0.51) | PTGS2CDK2KDM4EALDH1A1HPGD | |
| SCHEMBL25361436 | 0.73 | MAPT (0.51) | PTGS2CDK2KDM4EALDH1A1HPGD |
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 |