Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.37 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.37 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.37 |
| ▸ | MAOA | P21397 | 1/20 | 0.37 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.37 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.37 |
| ▸ | HTR2B | P41595 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | CA1 | P00915 | 1/20 | 0.34 |
| ▸ | CA2 | P00918 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.33 |
| ▸ | LMNA | P02545 | 2/20 | 0.33 |
| ▸ | HTT | P42858 | 2/20 | 0.33 |
| ▸ | RAB9A | P51151 | 2/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | MITF | O75030 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 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 | |
|---|---|---|---|---|
| SCHEMBL19012009 | 0.81 | ESR1 (0.50) | CYP3A4CHRM1ALOX15MAOATBXA2R | |
| SCHEMBL13021187 | 0.81 | LDHA (0.45) | CYP1A2CYP2C9CYP2C19CA1CA2 | |
| SCHEMBL21985694 | 0.77 | CYP1A2 (0.46) | CYP3A4CYP1A2LMNAHTTTSHR | |
| SCHEMBL21985687 | 0.73 | ESR1 (0.42) | CYP1A2CYP2C9KDM4ELMNAHTT | |
| SCHEMBL31433385 | 0.72 | DYRK1A (0.54) | CYP3A4CHRM1ALOX15MAOATBXA2R | |
| SCHEMBL6130143 | 0.70 | LDHA (0.52) | CYP3A4CYP1A2CYP2C9CYP2C19CA1 | |
| SCHEMBL22339 | 0.69 | CA1 (0.65) | CYP3A4CHRM1ALOX15MAOATBXA2R | |
| SCHEMBL15835617 | 0.69 | ESR1 (0.55) | CYP1A2CYP2C9CYP2C19CA1CA2 | |
| SCHEMBL9623383 | 0.68 | ESR2 (0.52) | CYP3A4CHRM1ALOX15MAOATBXA2R | |
| Methane SCHEMBL8857034 | 0.67 | CA1 (0.61) | CYP3A4CHRM1ALOX15MAOATBXA2R |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3433236-B1 | CYANOPYRIMIDINE DERIVATIVES SUITABLE AS COMPONENTS IN LIQUID CRYSTAL MEDIA | MERCK PATENT GMBH (DE) | 2021-10-27 | — | — | EP | disclosed |
| EP-3529331-B1 | LIQUID-CRYSTALLINE MEDIUM | MERCK PATENT GMBH (DE) | 2020-10-07 | — | — | EP | disclosed |
| EP-3504293-B1 | LIQUID-CRYSTALLINE MEDIUM | MERCK PATENT GMBH (DE) | 2020-05-13 | — | — | EP | disclosed |
| WO-2017162707-A1 | CYANOPYRIMIDINE DERIVATIVES SUITABLE AS COMPONENTS IN LIQUID CRYSTAL MEDIA | MERCK PATENT GMBH (DE) | 2017-09-28 | — | — | WO | disclosed |
| WO-2017162716-A1 | LIQUID-CRYSTALLINE MEDIUM | MERCK PATENT GMBH (DE) | 2017-09-28 | — | — | WO | disclosed |