Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AHR | P35869 | 4/20 | 0.63 |
| ▸ | NR4A2 | P43354 | 2/20 | 0.63 |
| ▸ | F7 | P08709 | 1/20 | 0.63 |
| ▸ | LTA4H | P09960 | 1/20 | 0.63 |
| ▸ | F3 | P13726 | 1/20 | 0.63 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.54 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.54 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.54 |
| ▸ | CMA1 | P23946 | 1/20 | 0.48 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.46 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.44 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.44 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.44 |
| ▸ | USP2 | O75604 | 1/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.44 |
| ▸ | RAD51 | Q06609 | 1/20 | 0.44 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.44 |
| ▸ | NPC1 | O15118 | 2/20 | 0.42 |
| ▸ | MAOB | P27338 | 2/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL8604113 | 0.84 | CYP17A1 (0.55) | AHRNR4A2F7LTA4HF3 | |
| SCHEMBL30030142 | 0.84 | CYP17A1 (0.55) | AHRNR4A2F7LTA4HF3 | |
| SCHEMBL30587351 | 0.78 | AHR (1.00) | AHRNR4A2F7LTA4HF3 | |
| SCHEMBL405311 | 0.78 | AHR (1.00) | AHRNR4A2F7LTA4HF3 | |
| SCHEMBL30375508 | 0.78 | CYP17A1 (0.54) | AHRNR4A2F7LTA4HF3 | |
| SCHEMBL30957581 | 0.77 | AHR (0.61) | AHRNR4A2F7LTA4HF3 | |
| SCHEMBL6582346 | 0.77 | AHR (0.55) | AHRNR4A2F7LTA4HF3 | |
| SCHEMBL16741873 | 0.77 | ENPP2 (0.54) | CYP17A1CYP11B1CYP11B2CYP2A6HDAC1 | |
| SCHEMBL30375430 | 0.77 | LTA4H (0.51) | AHRNR4A2F7LTA4HF3 | |
| SCHEMBL1572159 | 0.77 | AHR (0.51) | AHRNR4A2F7LTA4HF3 |
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 |
|---|---|---|---|---|---|---|---|
| US-5506234-A | PSYCHOPHARMACEUTICAL AGENTS WHICH BIND TO BENZODIAZEPINE RECEPTORS; ANXIOLYTIC AGENTS; MINIMAL SIDE EFFECTS | SCHERING AKTIENGESELLSCHAFT (DE) | 1996-04-09 | — | — | US | disclosed |
| EP-0557497-A1 | NEW $g(b)-CARBOLIN DERIVATIVES, THEIR PREPARATION AND THEIR USE IN DRUGS | SCHERING AKTIENGESELLSCHAFT (DE) | 1993-09-01 | — | — | EP | disclosed |
| WO-1993006100-A1 | NEW β-CARBOLIN DERIVATIVES, THEIR PREPARATION AND THEIR USE IN DRUGS | SCHERING AKTIENGESELLSCHAFT (DE) | 1993-04-01 | — | — | WO | disclosed |