Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.54 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.54 |
| ▸ | GRM5 | P41594 | 1/20 | 0.53 |
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 | |
|---|---|---|---|---|
| SCHEMBL4460258 | 0.88 | GRM5 (0.50) | GRM5 | |
| SCHEMBL20813871 | 0.86 | GRM5 (0.47) | ALDH1A1CYP2A6GRM5 | |
| SCHEMBL4457929 | 0.84 | GRM5 (0.56) | GRM5 | |
| SCHEMBL28270837 | 0.82 | CA12 (0.46) | ALDH1A1CYP2A6GRM5 | |
| SCHEMBL2758337 | 0.81 | TSHR (0.50) | GRM5 | |
| SCHEMBL4459781 | 0.81 | GRM5 (0.49) | GRM5 | |
| SCHEMBL16104527 | 0.80 | CYP2A6 (0.84) | ALDH1A1CYP2A6GRM5 | |
| SCHEMBL8978883 | 0.79 | CYP2A6 (0.55) | ALDH1A1CYP2A6GRM5 | |
| SCHEMBL23235838 | 0.78 | CYP2A6 (0.58) | ALDH1A1CYP2A6 | |
| SCHEMBL13606340 | 0.78 | PGR (0.51) | ALDH1A1CYP2A6GRM5 |
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-20090306115-A1 | Phenyl ethyne compounds | MERCK SHARP & DOHME CORP. | 2009-12-10 | — | — | US | disclosed |
| 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 | ALDH1A1 1651/4885CYP2A6 114/4885GRM5 143/4885 |
“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.