Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.40 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.36 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | OPRD1 | P41143 | 7/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | CA2 | P00918 | 2/20 | 0.32 |
| ▸ | CA12 | O43570 | 1/20 | 0.32 |
| ▸ | CA1 | P00915 | 1/20 | 0.32 |
| ▸ | CA9 | Q16790 | 1/20 | 0.32 |
| ▸ | CHKA | P35790 | 1/20 | 0.31 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.31 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.31 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.31 |
| ▸ | CHRNB3 | Q05901 | 1/20 | 0.31 |
| ▸ | CHRNA6 | Q15825 | 1/20 | 0.31 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.30 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.30 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.30 |
| ▸ | OPRM1 | P35372 | 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 | |
|---|---|---|---|---|
| SCHEMBL26292486 | 0.82 | SIGMAR1 (0.44) | SIGMAR1CHRM5CHRM3SMN1; SMN2OPRD1 | |
| SCHEMBL6603037 | 0.82 | SIGMAR1 (0.44) | SIGMAR1CHRM5CHRM3SMN1; SMN2OPRD1 | |
| Hydrochloric Acid SCHEMBL25274894 | 0.81 | SIGMAR1 (0.43) | SIGMAR1CHRM5CHRM3SMN1; SMN2OPRD1 | |
| SCHEMBL2110264 | 0.79 | SIGMAR1 (0.42) | SIGMAR1CHRM5CHRM3OPRD1TSHR | |
| SCHEMBL27536506 | 0.79 | SIGMAR1 (0.46) | SIGMAR1CHRM5CHRM3OPRD1CA2 | |
| Hydrochloric Acid SCHEMBL7970534 | 0.78 | SIGMAR1 (0.41) | SIGMAR1CHRM5CHRM3SMN1; SMN2OPRD1 | |
| SCHEMBL6600488 | 0.78 | SIGMAR1 (0.41) | SIGMAR1CHRM5CHRM3SMN1; SMN2OPRD1 | |
| SCHEMBL6530017 | 0.78 | SIGMAR1 (0.39) | SIGMAR1CHRM5CHRM3SMN1; SMN2OPRD1 | |
| SCHEMBL29520277 | 0.77 | ALDH1A1 (0.45) | SMN1; SMN2TSHR | |
| SCHEMBL31346719 | 0.77 | SIGMAR1 (0.43) | SIGMAR1CHRM5CHRM3SMN1; SMN2OPRD1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0741133-B1 | Adhesion receptor antagonists | MERCK PATENT GMBH (DE) | 2004-01-28 | — | — | EP | disclosed |
| US-6455529-B1 | OXAZOLIDIN-2-ONE DERIVATIVES; ANTICOAGULANTS; ANTIMETASTASIS, ANTICARCINOGENIC, ANTIISCHEMIC, AND ANTIINFLAMMATORY AGENTS; OSTEOPOROSIS, ARTERIOSCLEROSIS | MERCK PATENT GESELLSCHAFT MIT BESCHRAENKTER HAFTUNG (DE) | 2002-09-24 | — | — | US | disclosed |
| EP-0741133-A2 | Adhesion receptor antagonists | MERCK PATENT GmbH (DE) | 1996-11-06 | — | — | EP | disclosed |