Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTT | P42858 | 2/20 | 0.55 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.54 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.54 |
| ▸ | CYP2C19 | P33261 | 4/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.49 |
| ▸ | CYP2A6 | P11509 | 3/20 | 0.49 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.49 |
| ▸ | CYP2E1 | P05181 | 2/20 | 0.49 |
| ▸ | CYP2B6 | P20813 | 2/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.44 |
| ▸ | CASR | P41180 | 3/20 | 0.44 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.44 |
| ▸ | HTR1A | P08908 | 1/20 | 0.44 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.44 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.44 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.44 |
| ▸ | SMPD1 | P17405 | 1/20 | 0.44 |
| ▸ | DRD1 | P21728 | 1/20 | 0.44 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL14469669 | 0.87 | HTT (0.65) | HTTHDAC4HDAC6CYP2C19CYP3A4 | |
| SCHEMBL13077975 | 0.80 | CASR (0.50) | HDAC4HDAC6CYP2C19CYP3A4CYP2A6 | |
| SCHEMBL14849575 | 0.80 | CASR (0.50) | HDAC4HDAC6CYP2C19CYP3A4CYP2A6 | |
| SCHEMBL2368653 | 0.76 | PRKCI (0.69) | CYP2C19CYP3A4CYP2A6CYP2C9CYP2E1 | |
| SCHEMBL13077954 | 0.74 | HTT (0.57) | HTTHDAC4HDAC6CYP2C19CYP3A4 | |
| SCHEMBL3739482 | 0.74 | HTT (0.50) | HTTHDAC4HDAC6CYP2C19CYP3A4 | |
| SCHEMBL12903062 | 0.73 | CYP2A6 (0.55) | CYP2C19CYP3A4CYP2A6CYP2C9CYP2E1 | |
| SCHEMBL13749525 | 0.73 | CYP2A6 (0.58) | CYP2C19CYP3A4CYP2A6CYP2C9CYP2E1 | |
| SCHEMBL20881276 | 0.73 | PRKCI (0.55) | CYP2C19CYP3A4CYP2A6CYP2C9CYP2E1 | |
| SCHEMBL1750017 | 0.71 | SMN1; SMN2 (0.72) | HTTCYP2C19CYP3A4SMN1; SMN2CYP2D6 |
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 | HTT 3886/4885HDAC4 648/4885HDAC6 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.