Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | DHODH | Q02127 | 1/20 | 0.41 |
| ▸ | PTGER4 | P35408 | 2/20 | 0.41 |
| ▸ | PTGER2 | P43116 | 2/20 | 0.41 |
| ▸ | RXRA | P19793 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL8442624 | 0.89 | MCL1 (0.45) | CYP1A2CYP2C19 | |
| SCHEMBL8439756 | 0.88 | POLB (0.47) | CYP1A2CYP2C19 | |
| SCHEMBL8059436 | 0.88 | NR1H4 (0.46) | — | |
| SCHEMBL8439745 | 0.87 | MCL1 (0.43) | — | |
| SCHEMBL8441330 | 0.86 | KCNQ3 (0.42) | CYP2C19RXRA | |
| SCHEMBL8442725 | 0.86 | PTGER4 (0.44) | DHODHPTGER4PTGER2 | |
| SCHEMBL8439422 | 0.85 | SLC6A4 (0.43) | PTGER4PTGER2 | |
| SCHEMBL8441934 | 0.85 | BRD4 (0.47) | — | |
| SCHEMBL8439858 | 0.83 | SLC9A1 (0.61) | — | |
| SCHEMBL8438680 | 0.83 | CXCL8 (0.43) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0708088-B1 | Alkyl-5-methylsulphonyl-benzoyl-guanidine derivatives | MERCK PATENT GMBH (DE) | 1999-03-24 | — | — | EP | disclosed |
| US-5700839-A | ANTIARRYTHMIA AGENTS; ACT AS INHIBITORS OF THE CELLULAR NA+/H+ ANTIPORTER | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1997-12-23 | — | — | US | disclosed |
| EP-0708088-A1 | Alkyl-5-methylsulphonyl-benzoyl-guanidine derivatives | MERCK PATENT GmbH (DE) | 1996-04-24 | — | — | EP | disclosed |