Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | CES2 | O00748 | 1/20 | 0.31 |
| ▸ | CES1 | P23141 | 1/20 | 0.31 |
| ▸ | CYP4F2 | P78329 | 1/20 | 0.30 |
| ▸ | CYP4A11 | Q02928 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL4895382 | 0.84 | TDP1 (0.35) | — | |
| SCHEMBL17423913 | 0.71 | HSP90AA1 (0.39) | CES2CES1 | |
| SCHEMBL7406780 | 0.69 | APP (0.42) | — | |
| SCHEMBL1153218 | 0.67 | ESR1 (0.39) | ALDH1A1TSHRCES2 | |
| SCHEMBL1827090 | 0.67 | MAOA (0.37) | ALDH1A1 | |
| SCHEMBL382451 | 0.67 | NPC1 (0.35) | ALDH1A1TSHR | |
| SCHEMBL7220827 | 0.67 | — | — | |
| SCHEMBL3228155 | 0.67 | KDM4E (0.35) | ALDH1A1CES2CES1 | |
| SCHEMBL6345650 | 0.67 | PARP1 (0.33) | CES1 | |
| Water SCHEMBL11162060 | 0.65 | NPC1 (0.34) | ALDH1A1TSHR |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6573379-B2 | Contacting 6-methyl quinoxaline with N- bromosuccinimide in the presence of a radical initiator in 1, 2-dichloroethane to form 6-bromomethyl quinoxaline | AIR PRODUCTS AND CHEMICALS, INC. | 2003-06-03 | — | — | US | disclosed |
| US-20030050475-A1 | Method for preparing halomethyl heterocyclic compounds | BURDENIUC JUAN JESUS (US) | 2003-03-13 | — | — | US | disclosed |
| EP-1277742-A1 | Method for preparing halomethyl heterocyclic compounds | AIR PRODUCTS AND CHEMICALS, INC. (US) | 2003-01-22 | — | — | EP | disclosed |
| US-6492517-B1 | THE PRESENT INVENTION RELATES TO A METHOD FOR PREPARING 5- AND 6-HALOMETHYL QUINOXALINES IN PRESENCE OF A RADICAL INITIATOR IN A SOLVENT SELECTED FROM THE GROUP CONSISTING OF FLUOROBENZENE, DIFLUOROBENZENES, TRIFLUOROBENZENES, | AIR PRODUCTS AND CHEMICALS, INC. | 2002-12-10 | — | — | 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-20030050475-A1 | Method for preparing halomethyl heterocyclic compounds | HDHD5, HNMT, CBR3 | TRPA1 2026/4885ALDH1A1 2209/4885TSHR 1833/4885 |
“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.