Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE4A | P27815 | 2/20 | 0.42 |
| ▸ | PDE4B | Q07343 | 2/20 | 0.42 |
| ▸ | PDE4C | Q08493 | 2/20 | 0.42 |
| ▸ | PDE4D | Q08499 | 2/20 | 0.42 |
| ▸ | TLR7 | Q9NYK1 | 4/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.40 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.40 |
| ▸ | TLR8 | Q9NR97 | 1/20 | 0.40 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.39 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.39 |
| ▸ | TDP2 | O95551 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL9739962 | 0.76 | ADORA3 (0.56) | ADORA3ADORA2AADORA1 | |
| Butylbenzyl SCHEMBL28163480 | 0.69 | SIGMAR1 (0.55) | HSD11B1 | |
| Butylbenzyl SCHEMBL27646846 | 0.69 | SIGMAR1 (0.55) | HSD11B1 | |
| SCHEMBL6131261 | 0.69 | ALDH1A1 (0.57) | HSD11B1 | |
| Butylbenzyl SCHEMBL27286928 | 0.69 | SIGMAR1 (0.55) | HSD11B1 | |
| Butylbenzyl SCHEMBL22716183 | 0.69 | SIGMAR1 (0.59) | HSD11B1 | |
| Butylbenzyl SCHEMBL3229215 | 0.69 | SIGMAR1 (0.59) | HSD11B1 | |
| Butylbenzyl SCHEMBL16051 | 0.69 | SIGMAR1 (0.59) | HSD11B1 | |
| SCHEMBL6546867 | 0.68 | SIGMAR1 (0.50) | HSD11B1 | |
| Butylbenzyl SCHEMBL10925942 | 0.67 | SIGMAR1 (0.57) | HSD11B1 |
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 |
|---|---|---|---|---|---|---|---|
| JP-3098772-B2 | — | — | 2000-10-16 | — | — | JP | claimed |
| EP-0527851-A1 | 1H-SUBSTITUTED-1,2,4-TRIAZOLE COMPOUNDS FOR TREATMENT OF CARDIOVASCULAR DISORDERS | G.D. SEARLE & CO. (US) | 1993-02-24 | — | — | EP | claimed |
| WO-1991017148-A1 | 1H-SUBSTITUTED-1,2,4-TRIAZOLE COMPOUNDS FOR TREATMENT OF CARDIOVASCULAR DISORDERS | G.D. SEARLE & CO. (US) | 1991-11-14 | — | — | WO | claimed |