Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR2 | Q92731 | 1/20 | 0.41 |
| ▸ | ACHE | P22303 | 2/20 | 0.39 |
| ▸ | SIGMAR1 | Q99720 | 4/20 | 0.37 |
| ▸ | SPHK1 | Q9NYA1 | 3/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL10091180 | 0.82 | ESR2 (0.53) | ESR2ACHESIGMAR1SPHK1MEN1 | |
| SCHEMBL594418 | 0.70 | ESR2 (0.61) | ESR2SIGMAR1CYP2D6CYP2C19KMT2A | |
| SCHEMBL8146292 | 0.69 | SPHK1 (0.43) | ESR2SPHK1 | |
| SCHEMBL11196166 | 0.68 | ESR2 (0.77) | ESR2SIGMAR1SPHK1CYP3A4CYP2D6 | |
| SCHEMBL10091160 | 0.68 | ESR2 (0.50) | ESR2SIGMAR1 | |
| SCHEMBL7793208 | 0.68 | SPHK1 (0.51) | ESR2SPHK1CYP3A4CYP2D6 | |
| SCHEMBL11287625 | 0.67 | SPHK1 (0.50) | ESR2SPHK1 | |
| SCHEMBL12716492 | 0.67 | SPHK1 (0.46) | SIGMAR1SPHK1MEN1TP53CYP1A2 | |
| SCHEMBL10091206 | 0.67 | NPC1 (0.59) | ESR2SIGMAR1 | |
| SCHEMBL10091174 | 0.67 | NPC1 (0.59) | ESR2SIGMAR1 |
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-3543314-B1 | LIQUID-CRYSTALLINE MEDIUM | MERCK PATENT GMBH (DE) | 2020-09-09 | — | — | EP | disclosed |