Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HPGD | P15428 | 2/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.33 |
| ▸ | ALPL | P05186 | 1/20 | 0.33 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | GRIN2B | Q13224 | 3/20 | 0.33 |
| ▸ | AAK1 | Q2M2I8 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | GRIN1 | Q05586 | 2/20 | 0.32 |
| ▸ | TRPV3 | Q8NET8 | 1/20 | 0.32 |
| ▸ | FGFR1 | P11362 | 1/20 | 0.32 |
| ▸ | FGFR2 | P21802 | 1/20 | 0.32 |
| ▸ | RXRA | P19793 | 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 | |
|---|---|---|---|---|
| SCHEMBL23346051 | 0.86 | APP (0.42) | HPGDALDH1A1CYP1A2CYP2C9HSD17B10 | |
| SCHEMBL27402687 | 0.81 | MAPK1 (0.41) | HPGDTDP1ALDH1A1L3MBTL1CYP1A2 | |
| SCHEMBL27404620 | 0.80 | MAPK1 (0.43) | HPGDTDP1ALDH1A1L3MBTL1AAK1 | |
| SCHEMBL22872130 | 0.78 | ESR2 (0.35) | HPGDALDH1A1TRPV3PDE3BPDE3A | |
| SCHEMBL16855852 | 0.76 | L3MBTL1 (0.42) | HPGDTDP1ALDH1A1L3MBTL1CYP1A2 | |
| SCHEMBL22872135 | 0.74 | DAO (0.37) | HPGDALDH1A1CYP2C19CYP2D6TRPV3 | |
| SCHEMBL22872123 | 0.74 | PDE3B (0.37) | L3MBTL1CYP1A2CYP2C19PDK2GRIN2B | |
| SCHEMBL22872138 | 0.72 | HSD11B1 (0.38) | ALDH1A1PDK2GRIN2BKDM4EGRIN1 | |
| SCHEMBL27404622 | 0.72 | MCHR1 (0.39) | TDP1ALDH1A1L3MBTL1CYP1A2CYP2C19 | |
| SCHEMBL27402770 | 0.72 | MCHR1 (0.38) | ALDH1A1L3MBTL1CYP1A2CYP2C19CYP2C9 |
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 |
|---|---|---|---|---|---|---|---|
| US-11168255-B2 | Thiophene compound, liquid-crystalline medium and liquid-crystal display comprising the same | MERCK PATENT GMBH (DE) | 2021-11-09 | — | — | US | disclosed |
| US-20210139779-A1 | Thiophene compound, liquid-crystalline medium and liquid-crystal display comprising the same | MERCK PATENT GMBH (DE) | 2021-05-13 | — | — | US | disclosed |