Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 3/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.38 |
| ▸ | PDE3B | Q13370 | 3/20 | 0.38 |
| ▸ | PDE3A | Q14432 | 3/20 | 0.38 |
| ▸ | ESR1 | P03372 | 4/20 | 0.37 |
| ▸ | ESR2 | Q92731 | 4/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
| ▸ | DHODH | Q02127 | 1/20 | 0.34 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.33 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.33 |
| ▸ | APP | P05067 | 1/20 | 0.33 |
| ▸ | CCR1 | P32246 | 1/20 | 0.33 |
| ▸ | CCR5 | P51681 | 1/20 | 0.33 |
| ▸ | CCR8 | P51685 | 1/20 | 0.33 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.32 |
| ▸ | RPS6KA3 | P51812 | 2/20 | 0.32 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.32 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL21537531 | 0.92 | PDE3B (0.34) | CYP2A6CYP1A2PDE3BPDE3AESR1 | |
| SCHEMBL21537510 | 0.88 | PDE3B (0.38) | PDE3BPDE3ADHODHRPS6KA3SMN1; SMN2 | |
| SCHEMBL21935453 | 0.86 | PDE3B (0.38) | PDE3BPDE3ADHODHGRM2RPS6KA3 | |
| SCHEMBL18464809 | 0.84 | CYP1A2 (0.46) | CYP2A6CYP1A2ESR1ESR2TDP1 | |
| SCHEMBL25070289 | 0.83 | HSD17B1 (0.47) | CYP1A2AKR1C3AKR1C2CYP3A4CYP2C9 | |
| SCHEMBL18464324 | 0.82 | DHODH (0.44) | CYP1A2PDE3BPDE3ATDP1DHODH | |
| SCHEMBL18464325 | 0.80 | DHODH (0.46) | PDE3BPDE3ADHODHGRM2SMN1; SMN2 | |
| SCHEMBL18464327 | 0.80 | ESR1 (0.39) | PDE3BPDE3AESR1ESR2DHODH | |
| SCHEMBL20647415 | 0.80 | PDE3B (0.39) | PDE3BPDE3ADHODHAPPRPS6KA3 | |
| SCHEMBL22055031 | 0.79 | ESR1 (0.49) | CYP2A6CYP1A2PDE3BPDE3AESR1 |
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 10 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 |
| US-11015123-B2 | Liquid-crystal material | MERCK PATENT GMBH (DE) | 2021-05-25 | — | — | US | disclosed |
| US-20200255741-A1 | LIQUID-CRYSTAL MATERIAL | MERCK PATENT GMBH (DE) | 2020-08-13 | — | — | US | disclosed |
| US-10723950-B2 | Liquid-crystalline mixtures | MERCK PATENT GMBH (DE) | 2020-07-28 | — | — | 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 |
| US-10344217-B2 | Device for controlling the passage of energy, containing a dichroic dye compound | MERCK PATENT GMBH (DE) | 2019-07-09 | — | — | US | disclosed |
| US-10260001-B2 | Liquid crystal material | MERCK PATENT GMBH (DE) | 2019-04-16 | — | — | US | disclosed |
| US-20190016955-A1 | LIQUID-CRYSTALLINE MIXTURES | MERCK PATENT GMBH (DE) | 2019-01-17 | — | — | US | disclosed |
| US-20170029702-A1 | LIQUID CRYSTAL MATERIAL | MERCK PATENT GMBH (DE) | 2017-02-02 | — | — | US | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-10344217-B2 | Device for controlling the passage of energy, containing a dichroic dye compound | CRY1, SLC25A1, CRY2 | CYP2A6 4037/4885CYP1A2 2025/4885PDE3B 1670/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.