Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2B | P41595 | 5/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.34 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.34 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.34 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.34 |
| ▸ | ITGA2B | P08514 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | HTR4 | Q13639 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.32 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.32 |
| ▸ | PARP1 | P09874 | 1/20 | 0.31 |
| ▸ | PARP2 | Q9UGN5 | 1/20 | 0.31 |
| ▸ | SLC5A7 | Q9GZV3 | 1/20 | 0.31 |
| ▸ | CCR2 | P41597 | 1/20 | 0.31 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.31 |
| ▸ | BCHE | P06276 | 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 | |
|---|---|---|---|---|
| SCHEMBL7314554 | 0.94 | HTR2B (0.45) | HTR2BSMN1; SMN2OPRM1OPRD1OPRL1 | |
| SCHEMBL7302525 | 0.90 | HTR2B (0.48) | HTR2BOPRM1OPRD1OPRL1ITGB3 | |
| SCHEMBL7311678 | 0.89 | HTR2B (0.45) | HTR2BSMN1; SMN2TP53OPRM1OPRD1 | |
| SCHEMBL7310988 | 0.89 | HTR2B (0.52) | HTR2BHTR4PARP1PARP2CCR2 | |
| SCHEMBL7304864 | 0.85 | HTR2B (0.43) | HTR2BSMN1; SMN2TP53ITGB3ITGA2B | |
| SCHEMBL7314426 | 0.84 | HTR2B (0.50) | HTR2BSMN1; SMN2HTR4PARP1PARP2 | |
| SCHEMBL7309599 | 0.84 | SMN1; SMN2 (0.42) | HTR2BSMN1; SMN2TP53OPRM1OPRD1 | |
| SCHEMBL7311014 | 0.83 | HTR2B (0.43) | HTR2BSMN1; SMN2TP53ITGB3ITGA2B | |
| SCHEMBL7309942 | 0.83 | SMN1; SMN2 (0.37) | HTR2BSMN1; SMN2TP53OPRM1OPRD1 | |
| SCHEMBL7316422 | 0.82 | HTR2B (0.40) | HTR2BSMN1; SMN2TP53ALDH1A1 |
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-5776937-A | Adhesion receptor antagonists | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1998-07-07 | — | — | US | disclosed |
| EP-0711770-A1 | Antagonists of adhesion receptors | MERCK PATENT GmbH (DE) | 1996-05-15 | — | — | EP | disclosed |