Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 2/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
| ▸ | LMNA | P02545 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 1/20 | 0.45 |
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.45 |
| ▸ | ESR2 | Q92731 | 3/20 | 0.37 |
| ▸ | QPCT | Q16769 | 3/20 | 0.35 |
| ▸ | DRD2 | P14416 | 1/20 | 0.35 |
| ▸ | SPHK1 | Q9NYA1 | 2/20 | 0.35 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.34 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.34 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.34 |
| ▸ | DGAT1 | O75907 | 2/20 | 0.33 |
| ▸ | SOAT1 | P35610 | 1/20 | 0.33 |
| ▸ | ESR1 | P03372 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL23346031 | 0.86 | CYP2C9 (0.49) | CYP2C9ALDH1A1LMNAMAPTMEN1 | |
| SCHEMBL22872129 | 0.85 | ESR2 (0.44) | ESR2QPCTDRD2SPHK1RAB9A | |
| SCHEMBL23552205 | 0.81 | S1PR1 (0.38) | CYP2C9MAPTKMT2AESR2QPCT | |
| SCHEMBL23291419 | 0.81 | QPCT (0.40) | CYP2C9ALDH1A1LMNAMAPTMEN1 | |
| SCHEMBL29940748 | 0.81 | QPCT (0.40) | CYP2C9ALDH1A1LMNAMAPTMEN1 | |
| SCHEMBL23346029 | 0.81 | CYP2C9 (0.39) | CYP2C9ALDH1A1LMNAMAPTMEN1 | |
| SCHEMBL2383177 | 0.79 | CYP2C9 (0.63) | CYP2C9ALDH1A1LMNAMAPTMEN1 | |
| SCHEMBL4796050 | 0.79 | CYP2C9 (0.63) | CYP2C9ALDH1A1LMNAMAPTMEN1 | |
| SCHEMBL8095323 | 0.79 | ALDH1A1 (0.54) | CYP2C9ALDH1A1LMNAMAPTMEN1 | |
| SCHEMBL8095319 | 0.79 | ALDH1A1 (0.54) | CYP2C9ALDH1A1LMNAMAPTMEN1 |
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 |