Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | THRB | P10828 | 3/20 | 0.35 |
| ▸ | THRA | P10827 | 1/20 | 0.35 |
| ▸ | NAAA | Q02083 | 6/20 | 0.34 |
| ▸ | CTSK | P43235 | 1/20 | 0.33 |
| ▸ | ERN1 | O75460 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | TP53 | P04637 | 2/20 | 0.33 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | FAAH | O00519 | 1/20 | 0.32 |
| ▸ | ESR1 | P03372 | 2/20 | 0.32 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.32 |
| ▸ | FFAR1 | O14842 | 2/20 | 0.32 |
| ▸ | PPARD | Q03181 | 2/20 | 0.32 |
| ▸ | TYMS | P04818 | 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 | |
|---|---|---|---|---|
| SCHEMBL13967526 | 0.89 | NAAA (0.33) | TSHRPOLBMAPK1NAAACTSK | |
| SCHEMBL18511256 | 0.88 | NAAA (0.38) | THRBTHRANAAAERN1FAAH | |
| SCHEMBL16977650 | 0.88 | THRB (0.41) | TSHRTHRBNAAAALDH1A1TP53 | |
| SCHEMBL16977640 | 0.87 | THRB (0.38) | TSHRPOLBMAPK1THRBERN1 | |
| SCHEMBL9607776 | 0.86 | ERN1 (0.40) | TSHRPOLBMAPK1THRBTHRA | |
| SCHEMBL15338873 | 0.81 | THRB (0.36) | TSHRTHRBTHRAALDH1A1TP53 | |
| SCHEMBL20174163 | 0.81 | NPC1 (0.36) | TSHRPOLBMAPK1ERN1FAAH | |
| SCHEMBL2604655 | 0.80 | TYMS (0.41) | TSHRPOLBMAPK1THRBTHRA | |
| SCHEMBL9613625 | 0.80 | THRB (0.43) | TSHRPOLBMAPK1THRBTHRA | |
| SCHEMBL14984569 | 0.80 | POLB (0.38) | TSHRPOLBMAPK1THRBTHRA |
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-3234689-B1 | LIGHT MODULATION ELEMENT | MERCK PATENT GMBH (DE) | 2020-01-29 | — | — | EP | disclosed |
| EP-3067406-B1 | LIQUID CRYSTALLINE MEDIUM | MERCK PATENT GMBH (DE) | 2019-04-24 | — | — | EP | disclosed |