Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA3 | P0DMS8 | 7/20 | 0.60 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.60 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.60 |
| ▸ | PNP | P00491 | 1/20 | 0.55 |
| ▸ | LMNA | P02545 | 1/20 | 0.55 |
| ▸ | TP53 | P04637 | 1/20 | 0.55 |
| ▸ | HTT | P42858 | 1/20 | 0.55 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.55 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.55 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.55 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.55 |
| ▸ | CHKA | P35790 | 8/20 | 0.53 |
| ▸ | HSP90AA1 | P07900 | 2/20 | 0.51 |
| ▸ | HSP90B1 | P14625 | 2/20 | 0.51 |
| ▸ | TMEM97 | Q5BJF2 | 1/20 | 0.51 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.51 |
| ▸ | CHKB | Q9Y259 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL7665371 | 0.99 | ADORA3 (0.59) | ADORA3ADORA2AADORA1PNPLMNA | |
| Hydrochloric Acid SCHEMBL9075807 | 0.85 | AHCY (0.54) | ADORA3ADORA2AADORA1HSP90B1 | |
| Hydrochloric Acid SCHEMBL7846299 | 0.85 | AHCY (0.54) | ADORA3ADORA2AADORA1HSP90B1 | |
| SCHEMBL19503306 | 0.84 | PDE4D (0.57) | ADORA3ADORA2AADORA1PNPLMNA | |
| SCHEMBL19503483 | 0.84 | PDE4D (0.57) | ADORA3ADORA2AADORA1PNPLMNA | |
| SCHEMBL19820789 | 0.82 | CHKA (0.56) | ADORA3ADORA2AADORA1CHKACHKB | |
| SCHEMBL19820625 | 0.82 | CHKA (0.56) | ADORA3ADORA2AADORA1CHKACHKB | |
| SCHEMBL9021496 | 0.82 | NT5E (0.43) | ADORA3ADORA2AADORA1CHKA | |
| SCHEMBL9021493 | 0.82 | NT5E (0.43) | ADORA3ADORA2AADORA1CHKA | |
| SCHEMBL9021704 | 0.82 | NT5E (0.43) | ADORA3ADORA2AADORA1CHKA |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6436947-B1 | TO PREVENT ALLOGRAFT REJECTION; AUTOIMMUNE DISEASES DUE TO ACTION OF T-CELLS AS INSULIN-DEPENDENT DIABETES, MULTIPLE SCLEROSIS, RHEUMATOID ARTHRITIS; SUPPRESSION OF HUMORAL IMMUNE RESPONSE IN TREATMENT OF MYESTHENIAGRAVIS, LUPUS ERYTHEMATOSUS | AVENTIS PHARMACEUTICALS INC. | 2002-08-20 | — | — | US | claimed |