Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HMOX1 | P09601 | 3/20 | 0.38 |
| ▸ | ACACB | O00763 | 6/20 | 0.35 |
| ▸ | ACACA | Q13085 | 1/20 | 0.35 |
| ▸ | FFAR1 | O14842 | 2/20 | 0.34 |
| ▸ | PPARD | Q03181 | 1/20 | 0.34 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.33 |
| ▸ | HTR2A | P28223 | 1/20 | 0.33 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.33 |
| ▸ | MAOB | P27338 | 1/20 | 0.33 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.33 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.33 |
| ▸ | KDM1A | O60341 | 1/20 | 0.33 |
| ▸ | RARA | P10276 | 1/20 | 0.33 |
| ▸ | RARB | P10826 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.33 |
| ▸ | MOGAT2 | Q3SYC2 | 2/20 | 0.33 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.32 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.32 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL20005270 | 0.92 | ACACB (0.35) | HMOX1ACACBACACAFFAR1CHRM1 | |
| SCHEMBL20004766 | 0.90 | MAPT (0.39) | ACACBFFAR1CHRM1HTR2AMCHR1 | |
| SCHEMBL20005209 | 0.88 | MCHR1 (0.36) | ACACBACACACHRM1HTR2AMCHR1 | |
| SCHEMBL20004622 | 0.87 | MCHR1 (0.40) | ACACBCHRM1HTR2AMCHR1MAOB | |
| SCHEMBL20004904 | 0.87 | ESR1 (0.38) | AKR1C3AKR1C2 | |
| SCHEMBL19999621 | 0.85 | ACACB (0.39) | ACACBACACACHRM1HTR2AMCHR1 | |
| SCHEMBL20004902 | 0.83 | RARB (0.37) | FFAR1RARARARB | |
| SCHEMBL20005260 | 0.82 | HMOX1 (0.35) | HMOX1ACACBACACAFFAR1PPARD | |
| SCHEMBL19999622 | 0.82 | RARA (0.38) | ACACBACACAFFAR1CHRM1HTR2A | |
| SCHEMBL20005246 | 0.81 | ESR1 (0.36) | — |
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-3299439-A1 | LIQUID CRYSTAL COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE | JNC Corporation (JP) | 2018-03-28 | — | — | EP | disclosed |