Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 2/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.38 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.38 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.38 |
| ▸ | ADRA2C | P18825 | 6/20 | 0.37 |
| ▸ | CASR | P41180 | 5/20 | 0.37 |
| ▸ | ADRA2A | P08913 | 4/20 | 0.37 |
| ▸ | ADRA2B | P18089 | 4/20 | 0.37 |
| ▸ | SLC6A4 | P31645 | 3/20 | 0.37 |
| ▸ | ADRA1A | P35348 | 2/20 | 0.37 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.37 |
| ▸ | HTR2C | P28335 | 2/20 | 0.37 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.37 |
| ▸ | DRD3 | P35462 | 2/20 | 0.37 |
| ▸ | ADRA1B | P35368 | 2/20 | 0.37 |
| ▸ | MLNR | O43193 | 1/20 | 0.37 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL3736958 | 1.00 | CYP2C9 (0.42) | CYP2C9ALDH1A1CYP1A2CYP2C19HDAC3 | |
| SCHEMBL3736960 | 1.00 | CYP2C9 (0.42) | CYP2C9ALDH1A1CYP1A2CYP2C19HDAC3 | |
| SCHEMBL29159451 | 0.89 | ALDH1A1 (0.43) | CYP2C9ALDH1A1CYP1A2CYP2C19ADRA2C | |
| SCHEMBL20307886 | 0.80 | ALDH1A1 (0.47) | CYP2C9ALDH1A1CYP1A2CYP2C19ADRA2C | |
| SCHEMBL12047423 | 0.75 | ALDH1A1 (0.43) | CYP2C9ALDH1A1CYP1A2CYP2C19ADRA2C | |
| SCHEMBL20307892 | 0.75 | ALDH1A1 (0.43) | CYP2C9ALDH1A1CYP1A2CYP2C19ADRA2C | |
| SCHEMBL6006538 | 0.75 | ALDH1A1 (0.54) | CYP2C9ALDH1A1CYP1A2CYP2C19ADRA2C | |
| SCHEMBL25991088 | 0.72 | ALDH1A1 (0.50) | CYP2C9ALDH1A1CYP1A2CYP2C19ADRA2C | |
| SCHEMBL3247325 | 0.72 | ALDH1A1 (0.44) | ALDH1A1ADRA2CADRA2ACYP2D6HTT | |
| SCHEMBL5523449 | 0.71 | CYP1A2 (0.46) | CYP2C9ALDH1A1CYP1A2CYP2C19ADRA2C |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20100279936-A1 | SUBSTITUTED ACETYLENIC COMPOUNDS USEFUL FOR THE TREATMENT OF DISEASES | LEO PHARMA A/S (DK) | 2010-11-04 | — | — | 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-20100279936-A1 | SUBSTITUTED ACETYLENIC COMPOUNDS USEFUL FOR THE TREATMENT OF DISEASES | C1R, C3AR1, PTH1R | CYP2C9 361/4885ALDH1A1 1976/4885CYP1A2 1729/4885 |
“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.