Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2B | P41595 | 3/20 | 0.36 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.35 |
| ▸ | MAOA | P21397 | 1/20 | 0.35 |
| ▸ | CCR5 | P51681 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.30 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.30 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.30 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL7227965 | 0.87 | HTR2B (0.37) | HTR2BADRB3MAOACCR5 | |
| SCHEMBL12356916 | 0.86 | HTR2B (0.40) | HTR2BADRB3MAOA | |
| SCHEMBL12356915 | 0.86 | HTR2B (0.40) | HTR2BADRB3MAOA | |
| SCHEMBL7229332 | 0.86 | HTR2B (0.38) | HTR2BADRB3MAOACCR5 | |
| SCHEMBL7306591 | 0.81 | TP53 (0.42) | — | |
| SCHEMBL7310189 | 0.81 | RECQL (0.48) | HTR2BCHRM2CHRM3 | |
| SCHEMBL7229039 | 0.80 | MAPK1 (0.36) | MAOAMAPK1L3MBTL1 | |
| SCHEMBL8858100 | 0.78 | HTR2B (0.41) | HTR2B | |
| SCHEMBL8858116 | 0.78 | KDM4E (0.35) | HTR2B | |
| SCHEMBL10151437 | 0.77 | MAOA (0.38) | MAOAMAPK1L3MBTL1 |
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 |
|---|---|---|---|---|---|---|---|
| US-5776937-A | Adhesion receptor antagonists | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1998-07-07 | — | — | US | disclosed |
| EP-0727425-A1 | Adhesion receptor antagonists | MERCK PATENT GmbH (DE) | 1996-08-21 | — | — | EP | disclosed |
| EP-0711770-A1 | Antagonists of adhesion receptors | MERCK PATENT GmbH (DE) | 1996-05-15 | — | — | EP | disclosed |