Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2B | P41595 | 3/20 | 0.48 |
| ▸ | CCR8 | P51685 | 2/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | CHRM2 | P08172 | 3/20 | 0.41 |
| ▸ | CHRM3 | P20309 | 3/20 | 0.41 |
| ▸ | CACNA1G | O43497 | 1/20 | 0.41 |
| ▸ | SIGMAR1 | Q99720 | 3/20 | 0.41 |
| ▸ | TMEM97 | Q5BJF2 | 1/20 | 0.41 |
| ▸ | HTR1A | P08908 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.40 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | ABCB1 | P08183 | 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 | |
|---|---|---|---|---|
| SCHEMBL7307163 | 0.95 | HTR2B (0.50) | HTR2BCCR8CYP2D6CYP2C9ALDH1A1 | |
| SCHEMBL7306400 | 0.90 | HTR2B (0.53) | HTR2BCCR8CYP2D6CYP2C9CHRM2 | |
| SCHEMBL7303558 | 0.89 | HTR2B (0.52) | HTR2BCCR8ALDH1A1CHRM2CHRM3 | |
| SCHEMBL7307261 | 0.87 | ALDH1A1 (0.41) | ALDH1A1MAPTCACNA1GSIGMAR1TMEM97 | |
| SCHEMBL7314325 | 0.86 | ALDH1A1 (0.43) | ALDH1A1MAPTCACNA1GSIGMAR1TMEM97 | |
| SCHEMBL7310156 | 0.86 | ALDH1A1 (0.43) | ALDH1A1MAPTCACNA1GSIGMAR1TMEM97 | |
| SCHEMBL7314130 | 0.86 | ALDH1A1 (0.43) | HTR2BALDH1A1MAPTCACNA1GSIGMAR1 | |
| SCHEMBL7305773 | 0.86 | HTR2B (0.54) | HTR2BCCR8CYP2D6CYP2C9CHRM2 | |
| SCHEMBL7311014 | 0.86 | HTR2B (0.43) | HTR2BCCR8ALDH1A1SIGMAR1LMNA | |
| SCHEMBL7303582 | 0.85 | ACHE (0.45) | ALDH1A1MAPT |
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 |