Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | QPCT | Q16769 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | DRD2 | P14416 | 1/20 | 0.34 |
| ▸ | PDK2 | Q15119 | 2/20 | 0.34 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.32 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.32 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.32 |
| ▸ | TRPV3 | Q8NET8 | 1/20 | 0.32 |
| ▸ | CETP | P11597 | 1/20 | 0.32 |
| ▸ | FASN | P49327 | 1/20 | 0.32 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.32 |
| ▸ | ESR1 | P03372 | 1/20 | 0.32 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.31 |
| ▸ | PDE3A | Q14432 | 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 | |
|---|---|---|---|---|
| SCHEMBL23291419 | 1.00 | QPCT (0.40) | QPCTCYP2C9ALDH1A1LMNAMAPT | |
| SCHEMBL23346097 | 0.90 | QPCT (0.41) | QPCTDRD2PDK2CETPFASN | |
| SCHEMBL22872136 | 0.86 | QPCT (0.42) | QPCTCYP2C9DRD2PDK2CETP | |
| SCHEMBL23346099 | 0.86 | QPCT (0.43) | QPCTCYP2C9DRD2PDK2CETP | |
| SCHEMBL23346029 | 0.85 | CYP2C9 (0.39) | QPCTCYP2C9ALDH1A1LMNAMAPT | |
| SCHEMBL23552119 | 0.84 | QPCT (0.43) | QPCTCYP2C9PDK2ESR2ESR1 | |
| SCHEMBL11112346 | 0.83 | CYP2C9 (0.50) | CYP2C9ALDH1A1LMNAMAPTMEN1 | |
| SCHEMBL11112304 | 0.83 | CYP2C9 (0.50) | CYP2C9ALDH1A1LMNAMAPTMEN1 | |
| SCHEMBL23346100 | 0.83 | QPCT (0.41) | QPCTCYP2C9PDK2ESR2ESR1 | |
| SCHEMBL23346098 | 0.81 | QPCT (0.39) | QPCTCYP2C9PDK2CETPFASN |
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 |
|---|---|---|---|---|---|---|---|
| US-11447703-B2 | Thiophene compound, liquid-crystalline medium and liquid-crystal display comprising the same | MERCK PATENT GMBH (DE) | 2022-09-20 | — | — | US | disclosed |