Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 1/20 | 0.48 |
| ▸ | GRM5 | P41594 | 1/20 | 0.44 |
| ▸ | ACACB | O00763 | 9/20 | 0.43 |
| ▸ | EGLN1 | Q9GZT9 | 1/20 | 0.38 |
| ▸ | TP53 | P04637 | 2/20 | 0.36 |
| ▸ | FFAR1 | O14842 | 2/20 | 0.36 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.35 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL9855636 | 0.89 | CYP2A6 (0.40) | CYP2A6GRM5ACACBEGLN1FFAR1 | |
| SCHEMBL5050178 | 0.84 | CYP2A6 (0.64) | CYP2A6ACACBEGLN1TP53FFAR1 | |
| SCHEMBL8228398 | 0.84 | CYP2A6 (0.64) | CYP2A6ACACBEGLN1TP53FFAR1 | |
| SCHEMBL9855140 | 0.84 | ACACB (0.45) | GRM5ACACBFFAR1 | |
| SCHEMBL9855660 | 0.82 | EGLN1 (0.48) | CYP2A6GRM5ACACBEGLN1FFAR1 | |
| SCHEMBL9494958 | 0.82 | ACACB (0.49) | CYP2A6GRM5ACACBEGLN1FFAR1 | |
| SCHEMBL9855956 | 0.81 | ACACB (0.45) | GRM5ACACBTP53FFAR1FFAR4 | |
| SCHEMBL9855313 | 0.80 | HSD17B10 (0.50) | ACACBTP53FFAR1FFAR4 | |
| SCHEMBL9855101 | 0.79 | ACACB (0.40) | GRM5ACACBFFAR1 | |
| SCHEMBL9495802 | 0.78 | ACACB (0.46) | CYP2A6GRM5ACACBEGLN1FFAR1 |
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-5068053-A | Liquid crystals for optical apparatus | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1991-11-26 | — | — | US | disclosed |