Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACACB | O00763 | 12/20 | 0.50 |
| ▸ | DGAT1 | O75907 | 1/20 | 0.40 |
| ▸ | NQO1 | P15559 | 1/20 | 0.39 |
| ▸ | MAOA | P21397 | 1/20 | 0.38 |
| ▸ | MAOB | P27338 | 1/20 | 0.38 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL26347309 | 0.96 | ACACB (0.53) | ACACBNQO1MAOAMAOB | |
| SCHEMBL9511359 | 0.96 | ACACB (0.53) | ACACBNQO1MAOAMAOB | |
| SCHEMBL10017500 | 0.93 | NQO1 (0.45) | ACACBDGAT1NQO1MAOAMAOB | |
| SCHEMBL9509336 | 0.89 | CYP2C9 (0.46) | ACACBDGAT1NQO1MAOAMAOB | |
| SCHEMBL9510031 | 0.89 | ACACB (0.44) | ACACBMAOAMAOBMCHR1 | |
| SCHEMBL9508782 | 0.89 | RAB9A (0.46) | ACACBMAOAMAOBMCHR1 | |
| SCHEMBL9512417 | 0.89 | MCHR1 (0.47) | ACACBDGAT1MCHR1 | |
| SCHEMBL9349628 | 0.88 | NQO1 (0.50) | ACACBNQO1MAOAMAOB | |
| SCHEMBL10017473 | 0.88 | NQO1 (0.50) | ACACBNQO1MAOAMAOB | |
| SCHEMBL9512520 | 0.87 | ESR2 (0.42) | ACACBNQO1MAOAMAOBMCHR1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0308438-B1 | LIQUID CRYSTAL PHASE CONTAINING TOLANES | MERCK PATENT GmbH (DE) | 1993-09-29 | — | — | EP | disclosed |