Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | QPCT | Q16769 | 1/20 | 0.41 |
| ▸ | PDK2 | Q15119 | 2/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.32 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.32 |
| ▸ | CTSK | P43235 | 1/20 | 0.31 |
| ▸ | CTSC | P53634 | 1/20 | 0.31 |
| ▸ | APP | P05067 | 1/20 | 0.31 |
| ▸ | HTR2C | P28335 | 1/20 | 0.30 |
| ▸ | ESR1 | P03372 | 1/20 | 0.30 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL23346099 | 0.96 | QPCT (0.43) | QPCTPDK2CYP3A4CYP2C9PDE3B | |
| SCHEMBL23552119 | 0.91 | QPCT (0.43) | QPCTPDK2CYP3A4CYP2C9PDE3B | |
| SCHEMBL22872136 | 0.86 | QPCT (0.42) | QPCTPDK2CYP3A4CYP2C9PDE3B | |
| SCHEMBL23346098 | 0.86 | QPCT (0.39) | QPCTPDK2CYP3A4CYP2C9PDE3B | |
| SCHEMBL23346097 | 0.85 | QPCT (0.41) | QPCTPDK2PDE3BPDE3AHTR2C | |
| SCHEMBL29940748 | 0.83 | QPCT (0.40) | QPCTPDK2CYP2C9PDE3BPDE3A | |
| SCHEMBL23291419 | 0.83 | QPCT (0.40) | QPCTPDK2CYP2C9PDE3BPDE3A | |
| SCHEMBL22872142 | 0.82 | CYP3A4 (0.42) | QPCTPDK2CYP3A4CYP2C9PDE3B | |
| SCHEMBL23346094 | 0.82 | QPCT (0.39) | QPCTPDK2PDE3BPDE3A | |
| SCHEMBL22872140 | 0.82 | QPCT (0.43) | QPCTPDK2CYP3A4CYP2C9PDE3B |
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-20210139779-A1 | Thiophene compound, liquid-crystalline medium and liquid-crystal display comprising the same | MERCK PATENT GMBH (DE) | 2021-05-13 | — | — | US | disclosed |