Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HMOX1 | P09601 | 3/20 | 0.35 |
| ▸ | RARA | P10276 | 1/20 | 0.34 |
| ▸ | RARB | P10826 | 1/20 | 0.34 |
| ▸ | S1PR1 | P21453 | 2/20 | 0.33 |
| ▸ | S1PR3 | Q99500 | 2/20 | 0.33 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.33 |
| ▸ | ACACB | O00763 | 1/20 | 0.33 |
| ▸ | ACACA | Q13085 | 1/20 | 0.33 |
| ▸ | FFAR1 | O14842 | 3/20 | 0.32 |
| ▸ | PPARD | Q03181 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | ESR1 | P03372 | 1/20 | 0.31 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
| ▸ | METAP2 | P50579 | 1/20 | 0.31 |
| ▸ | MAOB | P27338 | 1/20 | 0.31 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL19999583 | 0.94 | RARA (0.34) | HMOX1RARARARBMCL1KDM4E | |
| SCHEMBL20005219 | 0.82 | HMOX1 (0.38) | HMOX1RARARARBS1PR1S1PR3 | |
| SCHEMBL20005270 | 0.78 | ACACB (0.35) | HMOX1RARARARBACACBACACA | |
| SCHEMBL20005218 | 0.78 | RARA (0.36) | HMOX1RARARARBS1PR1S1PR3 | |
| SCHEMBL19999621 | 0.76 | ACACB (0.39) | RARARARBS1PR1S1PR3ACACB | |
| SCHEMBL20005209 | 0.76 | MCHR1 (0.36) | RARARARBACACBACACAGAA | |
| SCHEMBL19999489 | 0.76 | ACACB (0.40) | RARARARBS1PR1S1PR3ACACB | |
| SCHEMBL20004687 | 0.73 | RARA (0.37) | RARARARBS1PR1S1PR3MCL1 | |
| SCHEMBL20004766 | 0.73 | MAPT (0.39) | RARARARBACACBFFAR1GAA | |
| SCHEMBL20004622 | 0.72 | MCHR1 (0.40) | RARARARBACACBCYP3A4CYP2D6 |
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 |