Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 3/20 | 0.41 |
| ▸ | POLB | P06746 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.41 |
| ▸ | HPGD | P15428 | 2/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | APP | P05067 | 7/20 | 0.39 |
| ▸ | MAOA | P21397 | 2/20 | 0.38 |
| ▸ | MAOB | P27338 | 2/20 | 0.38 |
| ▸ | AAK1 | Q2M2I8 | 1/20 | 0.35 |
| ▸ | HSD17B1 | P14061 | 2/20 | 0.35 |
| ▸ | HSD17B2 | P37059 | 2/20 | 0.35 |
| ▸ | PRF1 | P14222 | 1/20 | 0.35 |
| ▸ | TARBP2 | Q15633 | 1/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.34 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 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 | |
|---|---|---|---|---|
| SCHEMBL25070536 | 0.91 | AAK1 (0.37) | CYP2C19POLBKDM4EALDH1A1CYP2C9 | |
| SCHEMBL21537527 | 0.88 | APP (0.39) | CYP2C19KDM4EALDH1A1CYP2C9HPGD | |
| SCHEMBL21537515 | 0.86 | APP (0.34) | CYP2C19POLBCYP2C9APPHSD17B1 | |
| SCHEMBL20806064 | 0.85 | NR1H4 (0.42) | CYP2C19POLBKDM4EALDH1A1CYP2C9 | |
| SCHEMBL19682268 | 0.84 | APP (0.41) | CYP2C19POLBCYP2C9APPPRF1 | |
| SCHEMBL22241014 | 0.83 | APP (0.39) | CYP2C19KDM4EALDH1A1CYP2C9HPGD | |
| SCHEMBL22299384 | 0.83 | RARA (0.36) | CYP2C19ALDH1A1CYP2C9MAPTAAK1 | |
| SCHEMBL25070640 | 0.83 | ALDH1A1 (0.37) | ALDH1A1AAK1CYP3A4 | |
| SCHEMBL22239082 | 0.83 | L3MBTL1 (0.34) | CYP2C19POLBKDM4EALDH1A1CYP2C9 | |
| SCHEMBL22238956 | 0.82 | APP (0.39) | CYP2C19KDM4EALDH1A1CYP2C9HPGD |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20230053362-A1 | DICHROIC DYE COMPOSITION | MERCK PATENT GMBH (DE) | 2023-02-23 | — | — | US | disclosed |
| EP-3458549-B1 | LIQUID-CRYSTAL MATERIAL | MERCK PATENT GMBH (DE) | 2020-07-22 | — | — | EP | disclosed |
| EP-3400271-B1 | LIQUID-CRYSTALLINE MIXTURES | MERCK PATENT GMBH (DE) | 2020-07-22 | — | — | EP | disclosed |