Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.39 |
| ▸ | ATM | Q13315 | 2/20 | 0.37 |
| ▸ | DRD2 | P14416 | 2/20 | 0.36 |
| ▸ | DRD4 | P21917 | 2/20 | 0.36 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.36 |
| ▸ | DRD3 | P35462 | 2/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | KCNN4 | O15554 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.33 |
| ▸ | KCNA3 | P22001 | 2/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.32 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.32 |
| ▸ | HTR2A | P28223 | 1/20 | 0.32 |
| ▸ | HTR2C | P28335 | 1/20 | 0.32 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL2066381 | 0.77 | ATM (0.55) | ATMDRD2DRD4OPRM1DRD3 | |
| SCHEMBL9547903 | 0.76 | ATM (0.36) | TSHRATMDRD2DRD4OPRM1 | |
| SCHEMBL29184899 | 0.76 | CYP2C19 (0.39) | TSHRATMCYP2D6CYP2C19CYP1A2 | |
| SCHEMBL5012067 | 0.75 | TSHR (0.52) | TSHRCYP2C19CYP1A2CYP2C9KCNN4 | |
| SCHEMBL28678192 | 0.74 | KCNN4 (0.41) | TSHRATMCYP2D6CYP2C19CYP1A2 | |
| SCHEMBL12449783 | 0.71 | ATM (0.41) | TSHRATMDRD2DRD4OPRM1 | |
| SCHEMBL28563461 | 0.70 | KCNN4 (0.42) | TSHRDRD2DRD4OPRM1DRD3 | |
| SCHEMBL23572555 | 0.70 | CHRM2 (0.38) | TSHRATMCYP2C19CYP1A2CYP2C9 | |
| Alcohol SCHEMBL7269785 | 0.70 | ALDH1A1 (0.45) | TSHRCYP2C19CYP1A2CYP2C9KCNN4 | |
| SCHEMBL18133808 | 0.69 | TSHR (0.43) | TSHRATMCYP2C19CYP1A2CYP2C9 |
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-8404728-B2 | Small-molecule botulinum toxin inhibitors | MAYO FOUNDATION FOR MEDICAL EDUCATION AND RESEARCH (US) | 2013-03-26 | — | — | US | disclosed |
| US-20120114696-A1 | SMALL-MOLECULE BOTULINUM TOXIN INHIBITORS | US ARMY, SECRETARY OF THE ARMY | 2012-05-10 | — | — | 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-20120114696-A1 | SMALL-MOLECULE BOTULINUM TOXIN INHIBITORS | BTD, BCHE, ACHE | TSHR 1340/4885ATM 4670/4885DRD2 805/4885 |
“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.