Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NQO1 | P15559 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 2/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | CASP3 | P42574 | 1/20 | 0.40 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.40 |
| ▸ | NLRP3 | Q96P20 | 1/20 | 0.40 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.40 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.40 |
| ▸ | DRD2 | P14416 | 1/20 | 0.38 |
| ▸ | MAOA | P21397 | 2/20 | 0.37 |
| ▸ | MAOB | P27338 | 2/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | LTA4H | P09960 | 1/20 | 0.34 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL7779389 | 0.88 | NQO1 (0.44) | NQO1RAB9ANPC1CASP3SENP8 | |
| SCHEMBL7779517 | 0.87 | NQO1 (0.42) | NQO1RAB9ANPC1CASP3SENP8 | |
| SCHEMBL7782298 | 0.86 | NQO1 (0.39) | NQO1RAB9ANPC1CASP3SENP8 | |
| SCHEMBL7779437 | 0.83 | NQO1 (0.39) | NQO1RAB9ANPC1CASP3SENP8 | |
| SCHEMBL7780453 | 0.81 | NQO1 (0.42) | NQO1RAB9ANPC1CASP3SENP8 | |
| SCHEMBL9586183 | 0.79 | NQO1 (0.61) | NQO1RAB9ADRD2MAOAMAOB | |
| SCHEMBL4800850 | 0.78 | CYP2C9 (0.55) | NQO1RAB9ANPC1CASP3SENP8 | |
| SCHEMBL1894069 | 0.78 | CYP2C9 (0.55) | NQO1RAB9ANPC1CASP3SENP8 | |
| SCHEMBL7782972 | 0.78 | NQO1 (0.40) | NQO1RAB9ANPC1MAOAMAOB | |
| SCHEMBL7782180 | 0.77 | NQO1 (0.39) | NQO1RAB9ANPC1CASP3SENP8 |
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 |