Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 2/20 | 0.43 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.43 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.43 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.43 |
| ▸ | CACNA1C | Q13936 | 1/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 5/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.39 |
| ▸ | MAPT | P10636 | 4/20 | 0.39 |
| ▸ | TYR | P14679 | 3/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | ALOX12 | P18054 | 2/20 | 0.39 |
| ▸ | HTT | P42858 | 2/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.39 |
| ▸ | CA1 | P00915 | 2/20 | 0.39 |
| ▸ | CA2 | P00918 | 2/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | RNASEH1 | O60930 | 1/20 | 0.39 |
| ▸ | MDM4 | O15151 | 1/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL18914201 | 0.80 | PTGS1 (0.42) | TRPA1GABRA1GABRB2PTGS1CACNA1C | |
| SCHEMBL12197724 | 0.80 | TRPA1 (0.47) | TRPA1GABRA1GABRB2PTGS1CACNA1C | |
| SCHEMBL22076927 | 0.80 | GABRA1 (0.38) | TRPA1GABRA1GABRB2PTGS1CACNA1C | |
| SCHEMBL16248205 | 0.80 | GABRA1 (0.42) | TRPA1GABRA1GABRB2PTGS1CACNA1C | |
| SCHEMBL84409 | 0.78 | ALDH1A1 (0.44) | TRPA1GABRA1GABRB2PTGS1CACNA1C | |
| SCHEMBL14558312 | 0.78 | SMN1; SMN2 (0.37) | TRPA1GABRA1GABRB2PTGS1CACNA1C | |
| SCHEMBL19788233 | 0.75 | GABRA1 (0.38) | TRPA1GABRA1GABRB2PTGS1CACNA1C | |
| SCHEMBL21252983 | 0.75 | GABRA1 (0.38) | TRPA1GABRA1GABRB2PTGS1CACNA1C | |
| SCHEMBL10141659 | 0.75 | GABRA1 (0.38) | TRPA1GABRA1GABRB2PTGS1CACNA1C | |
| SCHEMBL12966708 | 0.74 | RXRA (0.34) | CYP1A2 |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9334289-B2 | Cephem compound having catechol or pseudo-catechol structure | SHIONOGI & CO., LTD. (JP) | 2016-05-10 | — | — | US | disclosed |
| US-9242999-B2 | Cephem compound having pyridinium group | SHIONOGI & CO., LTD. (JP) | 2016-01-26 | — | — | US | disclosed |
| US-9238657-B2 | Cephalosporin having catechol group | SHIONOGI & CO., LTD. (JP) | 2016-01-19 | — | — | US | disclosed |
| US-8883773-B2 | Cephem compound having pseudo-catechol group | SHIONOGI & CO., LTD. (JP) | 2014-11-11 | — | — | US | disclosed |
| US-20140114060-A1 | CEPHEM COMPOUND HAVING PYRIDINIUM GROUP | SHIONOGI & CO., LTD. (JP) | 2014-04-24 | — | — | US | disclosed |
| US-20140088302-A1 | NOVEL CEPHEM COMPOUND HAVING CATECHOL OR PSEUDO-CATECHOL STRUCTURE | SHIONOGI & CO., LTD. (JP) | 2014-03-27 | — | — | US | disclosed |
| US-20130079319-A1 | CEPHEM COMPOUND HAVING PSEUDO-CATECHOL GROUP | SHIONOGI & CO., LTD. (JP) | 2013-03-28 | — | — | US | disclosed |
| US-20110190254-A1 | CEPHALOSPORIN HAVING CATECHOL GROUP | SHIONOGI & CO., LTD. (JP) | 2011-08-04 | — | — | 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 (4 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-20130079319-A1 | CEPHEM COMPOUND HAVING PSEUDO-CATECHOL GROUP | CENPE, CCNE2, CEP170 | TRPA1 4373/4885GABRA1 4241/4885GABRB2 3792/4885 |
| US-20140088302-A1 | NOVEL CEPHEM COMPOUND HAVING CATECHOL OR PSEUDO-CATECHOL STRUCTURE | COMT, CMBL, CEP170 | TRPA1 4213/4885GABRA1 2889/4885GABRB2 1765/4885 |
| US-20110190254-A1 | CEPHALOSPORIN HAVING CATECHOL GROUP | NRDC, LUC7L2, NR0B1 | TRPA1 4766/4885GABRA1 2133/4885GABRB2 1507/4885 |
| US-20140114060-A1 | CEPHEM COMPOUND HAVING PYRIDINIUM GROUP | CEP170, PEPD, CMBL | TRPA1 3320/4885GABRA1 2314/4885GABRB2 1763/4885 |
“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.