Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.53 |
| ▸ | RAB9A | P51151 | 1/20 | 0.53 |
| ▸ | ESR2 | Q92731 | 6/20 | 0.40 |
| ▸ | SLC18A3 | Q16572 | 2/20 | 0.39 |
| ▸ | KDM1A | O60341 | 3/20 | 0.39 |
| ▸ | MAOB | P27338 | 1/20 | 0.39 |
| ▸ | BRD4 | O60885 | 1/20 | 0.38 |
| ▸ | RAF1 | P04049 | 1/20 | 0.38 |
| ▸ | MMP1 | P03956 | 1/20 | 0.38 |
| ▸ | MMP2 | P08253 | 1/20 | 0.38 |
| ▸ | MMP3 | P08254 | 1/20 | 0.38 |
| ▸ | MMP9 | P14780 | 1/20 | 0.38 |
| ▸ | MMP13 | P45452 | 1/20 | 0.38 |
| ▸ | MMP14 | P50281 | 1/20 | 0.38 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.37 |
| ▸ | ESR1 | P03372 | 5/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL18900787 | 0.93 | NPC1 (0.59) | NPC1RAB9AESR2SLC18A3KDM1A | |
| SCHEMBL19621353 | 0.89 | NOTUM (0.44) | NPC1RAB9AESR2ESR1CYP2D6 | |
| SCHEMBL19621280 | 0.89 | SLC18A3 (0.47) | SLC18A3SIGMAR1CYP2D6CYP2C19 | |
| SCHEMBL14880676 | 0.87 | NPC1 (0.60) | NPC1RAB9AESR2SLC18A3KDM1A | |
| SCHEMBL18454988 | 0.85 | NOTUM (0.46) | NPC1RAB9AESR2ESR1CYP2D6 | |
| Fluoride SCHEMBL28552116 | 0.85 | NPC1 (0.58) | NPC1RAB9AESR2SLC18A3KDM1A | |
| SCHEMBL15758248 | 0.82 | NPC1 (0.60) | NPC1RAB9ASLC18A3KDM1AMAOB | |
| SCHEMBL15757454 | 0.82 | NPC1 (0.70) | NPC1RAB9AESR2SLC18A3KDM1A | |
| SCHEMBL20083436 | 0.81 | ESR2 (0.64) | NPC1RAB9AESR2SLC18A3ESR1 | |
| SCHEMBL18561699 | 0.81 | NPC1 (0.58) | NPC1RAB9ASLC18A3KDM1AMAOB |
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-2562233-B1 | LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY ELEMENT | JNC CORP (JP) | 2019-07-17 | — | — | EP | disclosed |