Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2B | P41595 | 3/20 | 0.37 |
| ▸ | CCR5 | P51681 | 2/20 | 0.35 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.34 |
| ▸ | PARP2 | Q9UGN5 | 1/20 | 0.32 |
| ▸ | CCR8 | P51685 | 6/20 | 0.32 |
| ▸ | MAOA | P21397 | 1/20 | 0.31 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL7313802 | 0.87 | HTR2B (0.36) | HTR2BCCR5ADRB3MAOA | |
| SCHEMBL12356915 | 0.84 | HTR2B (0.40) | HTR2BADRB3CCR8MAOA | |
| SCHEMBL12356916 | 0.84 | HTR2B (0.40) | HTR2BADRB3CCR8MAOA | |
| SCHEMBL7229332 | 0.84 | HTR2B (0.38) | HTR2BCCR5ADRB3PARP2MAOA | |
| SCHEMBL7310189 | 0.83 | RECQL (0.48) | HTR2BCCR8 | |
| SCHEMBL7307020 | 0.81 | MAPK1 (0.35) | — | |
| SCHEMBL7306591 | 0.78 | TP53 (0.42) | — | |
| SCHEMBL7316915 | 0.76 | MAPK1 (0.45) | — | |
| SCHEMBL8655209 | 0.74 | HTR2B (0.36) | HTR2B | |
| SCHEMBL8858116 | 0.74 | KDM4E (0.35) | HTR2B |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6602876-B1 | Adhesion receptor antagonists | MERCK PATENT GMBH (DE) | 2003-08-05 | — | — | US | disclosed |
| US-6204280-B1 | OXAZOLIDINONE DERIVATIVE, ANTICOAGULANT | MERCK PATENT GESELLSCHAFT MIT BERSCHRANKTER HAFTUNG (DE) | 2001-03-20 | — | — | US | disclosed |
| EP-0710657-B1 | Antagonists of adhesion receptors | MERCK PATENT GMBH (DE) | 1998-08-26 | — | — | EP | disclosed |
| EP-0710657-A1 | Antagonists of adhesion receptors | MERCK PATENT GmbH (DE) | 1996-05-08 | — | — | EP | disclosed |