Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NQO1 | P15559 | 1/20 | 0.45 |
| ▸ | ACACB | O00763 | 17/20 | 0.45 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | CACNA2D1 | P54289 | 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 | |
|---|---|---|---|---|
| SCHEMBL9855370 | 0.92 | NQO1 (0.54) | NQO1ACACBTSHRTDP1 | |
| SCHEMBL9855090 | 0.88 | ACACB (0.46) | ACACBTSHR | |
| SCHEMBL9855591 | 0.88 | ACACB (0.45) | ACACBCACNA2D1 | |
| SCHEMBL9855671 | 0.83 | APP (0.50) | ACACB | |
| SCHEMBL9855567 | 0.83 | ACACB (0.44) | NQO1ACACB | |
| SCHEMBL9855211 | 0.83 | ACACB (0.44) | NQO1ACACBTSHRTDP1 | |
| SCHEMBL9854843 | 0.80 | ACACB (0.45) | NQO1ACACB | |
| SCHEMBL10511908 | 0.80 | ACACB (0.35) | ACACBCACNA2D1 | |
| SCHEMBL31160399 | 0.78 | NQO1 (0.74) | NQO1ACACBTSHRTDP1 | |
| SCHEMBL9496359 | 0.78 | ACACB (0.58) | NQO1ACACBTSHRTDP1 |
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 |