Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TBXAS1 | P24557 | 3/20 | 0.46 |
| ▸ | CYP17A1 | P05093 | 5/20 | 0.43 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL27759709 | 1.00 | TBXAS1 (0.46) | TBXAS1CYP17A1CYP19A1CYP3A4CYP2D6 | |
| SCHEMBL27759708 | 1.00 | TBXAS1 (0.46) | TBXAS1CYP17A1CYP19A1CYP3A4CYP2D6 | |
| SCHEMBL27663508 | 1.00 | TBXAS1 (0.46) | TBXAS1CYP17A1CYP19A1CYP3A4CYP2D6 | |
| Bromide SCHEMBL28492540 | 0.98 | TBXAS1 (0.45) | TBXAS1CYP17A1CYP19A1CYP3A4CYP2D6 | |
| SCHEMBL27683095 | 0.98 | CYP17A1 (0.43) | TBXAS1CYP17A1CYP19A1CYP3A4CYP2D6 | |
| SCHEMBL27663505 | 0.93 | CYP17A1 (0.48) | TBXAS1CYP17A1CYP19A1CYP3A4CYP2D6 | |
| Iodide SCHEMBL27675674 | 0.92 | CYP17A1 (0.47) | TBXAS1CYP17A1CYP19A1CYP3A4CYP2D6 | |
| SCHEMBL19997577 | 0.87 | TBXAS1 (0.46) | TBXAS1CYP17A1CYP19A1CYP3A4CYP2D6 | |
| SCHEMBL27667458 | 0.85 | TBXAS1 (0.45) | TBXAS1CYP17A1 | |
| SCHEMBL28032902 | 0.85 | TBXAS1 (0.45) | TBXAS1CYP17A1 |
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 |
|---|---|---|---|---|---|---|---|
| US-20180030007-A1 | ALLOSTERIC MODULATORS OF NICOTINIC ACETYLCHOLINE RECEPTORS | MERCK SHARP & DOHME CORP. (US) | 2018-02-01 | — | — | US | disclosed |
| CN-101723976-B | Ionic liquids comprising fluoralkyltriffluoroborate anions | MERCK PATENT GMBH | 2013-08-21 | — | — | CN | disclosed |
| CN-101723976-A | Ionic liquids comprising fluoralkyltriffluoroborate anions | MERCK PATENT GMBH | 2010-06-09 | — | — | CN | disclosed |
| CN-100577667-C | Ionic liquids containing fluoroalkyl trifluoroborate anions | MERCK PATENT GMBH | 2010-01-06 | — | — | CN | disclosed |
| CN-1938322-A | Ionic liquids containing fluoroalkyl trifluoroborate anions | MERCK PATENT GMBH (DE) | 2007-03-28 | — | — | CN | 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-20180030007-A1 | ALLOSTERIC MODULATORS OF NICOTINIC ACETYLCHOLINE RECEPTORS | CHRNA7, CHRNA5, CHRNA6 | TBXAS1 1993/4885CYP17A1 2976/4885CYP19A1 3546/4885 |
“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.