Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NQO1 | P15559 | 1/20 | 0.39 |
| ▸ | CACNA2D1 | P54289 | 1/20 | 0.36 |
| ▸ | MAOA | P21397 | 2/20 | 0.35 |
| ▸ | MAOB | P27338 | 2/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 2/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
| ▸ | DRD2 | P14416 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.33 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.33 |
| ▸ | RELA | Q04206 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL9477302 | 1.00 | NQO1 (0.39) | NQO1CACNA2D1MAOAMAOBMAPT | |
| SCHEMBL9477280 | 1.00 | NQO1 (0.39) | NQO1CACNA2D1MAOAMAOBMAPT | |
| SCHEMBL9477521 | 0.96 | NQO1 (0.42) | NQO1CACNA2D1MAOAMAOBMAPT | |
| SCHEMBL9477529 | 0.96 | NQO1 (0.42) | NQO1CACNA2D1MAOAMAOBMAPT | |
| SCHEMBL9477514 | 0.96 | NQO1 (0.42) | NQO1CACNA2D1MAOAMAOBMAPT | |
| SCHEMBL9476439 | 0.92 | NQO1 (0.39) | NQO1MAOAMAOBMAPTRAB9A | |
| SCHEMBL9476434 | 0.92 | NQO1 (0.39) | NQO1MAOAMAOBMAPTRAB9A | |
| SCHEMBL9476428 | 0.92 | NQO1 (0.39) | NQO1MAOAMAOBMAPTRAB9A | |
| SCHEMBL9477100 | 0.89 | RAB9A (0.41) | MAOAMAOBMAPTRAB9ADRD2 | |
| SCHEMBL9477208 | 0.89 | CYP2C9 (0.37) | NQO1MAOAMAOBMAPTRAB9A |
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 |
|---|---|---|---|---|---|---|---|
| EP-0377469-B1 | A LIQUID CRYSTALLINE COMPOUND | CHISSO CORPORATION (JP) | 1993-10-06 | — | — | EP | disclosed |
| US-5183587-A | LIQUID CRYSTALLINE COMPOUND | CHISSO CORPORATION (JP) | 1993-02-02 | — | — | US | disclosed |
| EP-0377469-A1 | A liquid crystalline compound | CHISSO CORPORATION (JP) | 1990-07-11 | — | — | EP | disclosed |