Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NQO1 | P15559 | 1/20 | 0.41 |
| ▸ | ACACB | O00763 | 15/20 | 0.38 |
| ▸ | SYK | P43405 | 1/20 | 0.38 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.36 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL8775031 | 0.96 | CYP11B1 (0.39) | NQO1ACACBSYKFFAR1CYP11B1 | |
| SCHEMBL8774602 | 0.89 | ACACB (0.39) | ACACB | |
| SCHEMBL8774435 | 0.89 | ACACB (0.40) | ACACB | |
| SCHEMBL8774095 | 0.86 | NR5A1 (0.41) | ACACBTSHR | |
| SCHEMBL8774463 | 0.85 | MCHR1 (0.41) | ACACB | |
| SCHEMBL8775170 | 0.85 | CYP2D6 (0.46) | — | |
| SCHEMBL8774387 | 0.85 | APP (0.46) | ACACBCYP11B1CYP11B2 | |
| SCHEMBL8774297 | 0.82 | FFAR1 (0.40) | ACACBFFAR1 | |
| SCHEMBL9159722 | 0.81 | NQO1 (0.42) | NQO1ACACBTSHRTDP1 | |
| SCHEMBL8774295 | 0.79 | FFAR1 (0.44) | ACACBFFAR1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0519370-B1 | Heterocyclic derivatives | MERCK PATENT GMBH (DE) | 1997-11-05 | — | — | EP | disclosed |
| EP-0519370-A2 | Heterocyclic derivatives | MERCK PATENT GmbH (DE) | 1992-12-23 | — | — | EP | disclosed |