Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NQO1 | P15559 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | MAOA | P21397 | 2/20 | 0.38 |
| ▸ | MAOB | P27338 | 2/20 | 0.38 |
| ▸ | ACACB | O00763 | 2/20 | 0.37 |
| ▸ | LMNA | P02545 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 2/20 | 0.36 |
| ▸ | NPC1 | O15118 | 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 | |
|---|---|---|---|---|
| SCHEMBL7782972 | 0.87 | NQO1 (0.40) | NQO1MAPTMAOAMAOBACACB | |
| SCHEMBL7775218 | 0.86 | NQO1 (0.45) | NQO1MAPTMAOAMAOBACACB | |
| SCHEMBL9586183 | 0.79 | NQO1 (0.61) | NQO1MAPTMAOAMAOBTSHR | |
| SCHEMBL7779517 | 0.78 | NQO1 (0.42) | NQO1MAPTMAOAMAOBLMNA | |
| SCHEMBL7779402 | 0.77 | NQO1 (0.45) | NQO1MAPTMAOAMAOBLMNA | |
| SCHEMBL7782402 | 0.77 | NQO1 (0.41) | NQO1MAPTMAOAMAOBTSHR | |
| SCHEMBL16985038 | 0.75 | RAB9A (0.54) | MAOAMAOBLMNARAB9ANPC1 | |
| SCHEMBL7779437 | 0.74 | NQO1 (0.39) | NQO1MAPTMAOAMAOBACACB | |
| SCHEMBL12960814 | 0.74 | HRH3 (0.55) | NQO1MAPTLMNAALDH1A1GAA | |
| SCHEMBL15274896 | 0.74 | NQO1 (0.45) | NQO1MAPTMAOAMAOBALDH1A1 |
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-0637623-B1 | Cyclic hydrocarbon derivative and liquid crystal composition containing the same | DAINIPPON INK & CHEMICALS (JP) | 2001-10-04 | — | — | EP | disclosed |
| EP-0637623-A1 | Cyclic hydrocarbon derivative and liquid crystal composition containing the same | DAINIPPON INK AND CHEMICALS, INC. (JP) | 1995-02-08 | — | — | EP | disclosed |