Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2B | P41595 | 5/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
| ▸ | MAOA | P21397 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | RAD52 | P43351 | 1/20 | 0.33 |
| ▸ | CACNA2D1 | P54289 | 1/20 | 0.33 |
| ▸ | CACNA1B | Q00975 | 1/20 | 0.33 |
| ▸ | CACNB1 | Q02641 | 1/20 | 0.33 |
| ▸ | CACNA1C | Q13936 | 1/20 | 0.33 |
| ▸ | CCR5 | P51681 | 1/20 | 0.33 |
| ▸ | KDM1A | O60341 | 1/20 | 0.33 |
| ▸ | PAOX | Q6QHF9 | 1/20 | 0.33 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | CCR8 | P51685 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL7305444 | 0.93 | HTR2B (0.50) | HTR2BHSD17B10MAOAALDH1A1CACNA2D1 | |
| SCHEMBL7314426 | 0.89 | HTR2B (0.50) | HTR2BSMN1; SMN2CYP1A2MAPK1HSD17B10 | |
| SCHEMBL7311014 | 0.88 | HTR2B (0.43) | HTR2BSMN1; SMN2HSD17B10MAOAALDH1A1 | |
| SCHEMBL7310299 | 0.87 | HTR2B (0.51) | HTR2BHSD17B10ALDH1A1CACNA2D1CACNA1B | |
| SCHEMBL7306985 | 0.86 | HTR2B (0.44) | HTR2BSMN1; SMN2CYP1A2MAPK1MAOA | |
| SCHEMBL7306400 | 0.84 | HTR2B (0.53) | HTR2BCCR8 | |
| SCHEMBL7311678 | 0.83 | HTR2B (0.45) | HTR2BSMN1; SMN2HSD17B10MAOAALDH1A1 | |
| SCHEMBL7310988 | 0.82 | HTR2B (0.52) | HTR2BLMNACCR5 | |
| SCHEMBL7303856 | 0.81 | MAPK1 (0.39) | HTR2BSMN1; SMN2CYP1A2MAPK1MAOA | |
| SCHEMBL7315880 | 0.81 | S1PR5 (0.37) | HTR2BSMN1; SMN2CYP1A2MAPK1MAOA |
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 |