Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 1/20 | 0.43 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.43 |
| ▸ | CACNA1C | Q13936 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.42 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.42 |
| ▸ | ALOX12 | P18054 | 2/20 | 0.42 |
| ▸ | HTT | P42858 | 2/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 2/20 | 0.40 |
| ▸ | RNASEH1 | O60930 | 1/20 | 0.39 |
| ▸ | TBK1 | Q9UHD2 | 1/20 | 0.38 |
| ▸ | TYR | P14679 | 2/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.38 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.38 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.38 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.38 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.38 |
| ▸ | ADRB2 | P07550 | 3/20 | 0.38 |
| ▸ | TSHR | P16473 | 2/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL24116084 | 0.85 | CYP1A2 (0.47) | TRPA1PTGS1CACNA1CALDH1A1HIF1A | |
| SCHEMBL9686320 | 0.83 | ACE2 (0.42) | TRPA1PTGS1CACNA1CALDH1A1HIF1A | |
| SCHEMBL10053119 | 0.83 | PTGS1 (0.50) | TRPA1PTGS1CACNA1CALDH1A1HIF1A | |
| SCHEMBL9685093 | 0.83 | PTGS1 (0.55) | TRPA1PTGS1CACNA1CALDH1A1HIF1A | |
| SCHEMBL607135 | 0.83 | ACE2 (0.42) | TRPA1PTGS1CACNA1CALDH1A1HIF1A | |
| SCHEMBL10215349 | 0.83 | ADRB2 (0.54) | TRPA1PTGS1CACNA1CALDH1A1HIF1A | |
| SCHEMBL12591789 | 0.81 | GAA (0.41) | TRPA1PTGS1CACNA1CALDH1A1HIF1A | |
| SCHEMBL6124194 | 0.81 | TRPA1 (0.39) | TRPA1PTGS1CACNA1CALDH1A1HIF1A | |
| SCHEMBL12414657 | 0.81 | PTGS1 (0.39) | TRPA1PTGS1CACNA1CALDH1A1HIF1A | |
| SCHEMBL1437611 | 0.81 | SLC5A1 (0.42) | TRPA1PTGS1CACNA1CALDH1A1HIF1A |
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-8383825-B2 | Kinase inhibitors | ALLERGAN, INC. (US) | 2013-02-26 | — | — | US | disclosed |
| US-20120207810-A1 | Kinase Inhibitors | SPADA LON T (US) | 2012-08-16 | — | — | US | disclosed |
| US-20110263611-A1 | Kinase Inhibitors | ALLERGAN, INC. | 2011-10-27 | — | — | US | disclosed |
| US-20110166144-A1 | Pyrimidotriazinediones and Pyrimidopyrimidinediones and Methods of Using the Same | THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) | 2011-07-07 | — | — | 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 (3 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-20110263611-A1 | Kinase Inhibitors | PTK2, MAP3K6, MAP3K20 | TRPA1 3006/4885PTGS1 635/4885CACNA1C 4553/4885 |
| US-20120207810-A1 | Kinase Inhibitors | PTK2, MAP3K6, MAP3K20 | TRPA1 3006/4885PTGS1 635/4885CACNA1C 4553/4885 |
| US-20110166144-A1 | Pyrimidotriazinediones and Pyrimidopyrimidinediones and Methods of Using the Same | DPYD, TYMP, DHFR | TRPA1 4120/4885PTGS1 3149/4885CACNA1C 3743/4885 |
“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.