Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNB2 | P17787 | 3/20 | 0.45 |
| ▸ | CHRNA4 | P43681 | 3/20 | 0.45 |
| ▸ | MEN1 | O00255 | 2/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.45 |
| ▸ | CHRNA7 | P36544 | 2/20 | 0.45 |
| ▸ | POLB | P06746 | 1/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.45 |
| ▸ | IDO1 | P14902 | 2/20 | 0.35 |
| ▸ | TDO2 | P48775 | 2/20 | 0.35 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.33 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.33 |
| ▸ | CDK2 | P24941 | 1/20 | 0.33 |
| ▸ | CCNA1 | P78396 | 1/20 | 0.33 |
| ▸ | AURKA | O14965 | 1/20 | 0.33 |
| ▸ | HRH3 | Q9Y5N1 | 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 | |
|---|---|---|---|---|
| SCHEMBL7474868 | 0.79 | CHRNB2 (0.53) | CHRNB2CHRNA4MEN1CYP2D6CYP2C19 | |
| SCHEMBL31512120 | 0.77 | CHRNB2 (0.45) | CHRNB2CHRNA4MEN1CYP2D6CYP2C19 | |
| SCHEMBL8100097 | 0.77 | CHRNB2 (0.47) | CHRNB2CHRNA4MEN1CYP2D6CYP2C19 | |
| SCHEMBL18884045 | 0.76 | CHRNB2 (0.44) | CHRNB2CHRNA4MEN1CYP2D6CYP2C19 | |
| SCHEMBL2636340 | 0.76 | CHRNB2 (0.43) | CHRNB2CHRNA4MEN1CYP2D6CYP2C19 | |
| SCHEMBL12644566 | 0.76 | CHRNB2 (0.43) | CHRNB2CHRNA4MEN1CYP2D6CYP2C19 | |
| SCHEMBL17155268 | 0.76 | CHRNB2 (0.43) | CHRNB2CHRNA4MEN1CYP2D6CYP2C19 | |
| SCHEMBL15747950 | 0.73 | MEN1 (0.46) | CHRNB2CHRNA4MEN1CYP2D6CYP2C19 | |
| SCHEMBL3921349 | 0.72 | CHRNB2 (0.52) | CHRNB2CHRNA4MEN1CYP2D6CYP2C19 | |
| SCHEMBL3921342 | 0.72 | CHRNB2 (0.52) | CHRNB2CHRNA4MEN1CYP2D6CYP2C19 |
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-20090306115-A1 | Phenyl ethyne compounds | MERCK SHARP & DOHME CORP. | 2009-12-10 | — | — | US | disclosed |
| EP-1874724-A2 | PHENYL ETHYNE COMPOUNDS | Merck & Co., Inc. (US) | 2008-01-09 | — | — | EP | disclosed |
| WO-2006115895-A2 | PHENYL ETHYNE COMPOUNDS | MERCK & CO., INC. (US) | 2006-11-02 | — | — | WO | 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-20090306115-A1 | Phenyl ethyne compounds | DDT, CHRM3, CBR3 | CHRNB2 78/4885CHRNA4 26/4885MEN1 2240/4885 |
“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.