Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CASR | P41180 | 6/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.40 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.40 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.40 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.37 |
| ▸ | ADRA2C | P18825 | 2/20 | 0.37 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.37 |
| ▸ | HTR2C | P28335 | 2/20 | 0.37 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.37 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.37 |
| ▸ | DRD3 | P35462 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL3734851 | 1.00 | CASR (0.43) | CASRCYP2C9HDAC6HDAC3HDAC1 | |
| SCHEMBL3742281 | 0.83 | CASR (0.46) | CASRCYP2C9HDAC6HDAC3HDAC1 | |
| SCHEMBL13077933 | 0.81 | CASR (0.47) | CASRCYP2C9HDAC6HDAC3HDAC1 | |
| SCHEMBL3733182 | 0.77 | CASR (0.46) | CASRCYP2C9HDAC6HDAC3HDAC1 | |
| SCHEMBL3733184 | 0.77 | CASR (0.46) | CASRCYP2C9HDAC6HDAC3HDAC1 | |
| SCHEMBL3735498 | 0.77 | CASR (0.46) | CASRCYP2D6POLBADRA2CSLC6A2 | |
| SCHEMBL3735500 | 0.77 | CASR (0.46) | CASRCYP2D6POLBADRA2CSLC6A2 | |
| SCHEMBL3738660 | 0.74 | CASR (0.44) | CASRCYP2D6POLBADRA2CSLC6A2 | |
| SCHEMBL3738667 | 0.74 | CASR (0.44) | CASRCYP2D6POLBADRA2CSLC6A2 | |
| SCHEMBL14849575 | 0.74 | CASR (0.50) | CASRCYP2C9HDAC6HDAC3HDAC1 |
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 2 patents. 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 | claimed |
| 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 | CASR 5/4885CYP2C9 361/4885HDAC6 1701/4885 |
“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.