Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NQO1 | P15559 | 1/20 | 0.52 |
| ▸ | ACACB | O00763 | 15/20 | 0.49 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.49 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL9497445 | 0.88 | ACACB (0.48) | NQO1ACACBMCHR1TSHRTDP1 | |
| SCHEMBL9494975 | 0.86 | MCHR1 (0.53) | ACACBMCHR1 | |
| SCHEMBL9495676 | 0.86 | MCHR1 (0.53) | ACACBMCHR1 | |
| SCHEMBL31160399 | 0.84 | NQO1 (0.74) | NQO1ACACBTSHRTDP1 | |
| SCHEMBL9498090 | 0.83 | KDM4E (0.52) | ACACBMCHR1TSHR | |
| SCHEMBL9496057 | 0.82 | KDM4E (0.55) | MCHR1TSHR | |
| SCHEMBL9495779 | 0.82 | KDM4E (0.55) | MCHR1TSHR | |
| SCHEMBL9495038 | 0.82 | KDM4E (0.55) | MCHR1TSHR | |
| SCHEMBL9499469 | 0.80 | ACACB (0.48) | ACACBMCHR1 | |
| SCHEMBL9496359 | 0.80 | ACACB (0.58) | NQO1ACACBMCHR1TSHRTDP1 |
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-5068053-A | Liquid crystals for optical apparatus | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1991-11-26 | — | — | US | disclosed |
| EP-0306505-A1 | ACETYLENE DERIVATIVES AS COMPONENTS OF LIQUID CRYSTAL PHASES. | MERCK PATENT GMBH (DE) | 1989-03-15 | — | — | EP | disclosed |
| WO-1988007523-A1 | ACETYLENE DERIVATIVES AS COMPONENTS OF LIQUID CRYSTAL PHASES | MERCK Patent Gesellschaft mit beschränkter Haftung (DE) | 1988-10-06 | — | — | WO | disclosed |