Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 3/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 3/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | ALOX5 | P09917 | 2/20 | 0.38 |
| ▸ | F2 | P00734 | 1/20 | 0.37 |
| ▸ | ESR1 | P03372 | 2/20 | 0.36 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.36 |
| ▸ | TMEM97 | Q5BJF2 | 2/20 | 0.36 |
| ▸ | MAOB | P27338 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL20871763 | 0.86 | PTGS2 (0.43) | PTGS2KMT2AALDH1A1HSD17B10TSHR | |
| Ncx-4016 SCHEMBL19524 | 0.86 | PTGS2 (0.57) | PTGS2KMT2AALDH1A1HSD17B10TSHR | |
| Ncx-4016 SCHEMBL29546681 | 0.86 | PTGS2 (0.57) | PTGS2KMT2AALDH1A1HSD17B10TSHR | |
| Ncx-4016 SCHEMBL29813476 | 0.86 | PTGS2 (0.57) | PTGS2KMT2AALDH1A1HSD17B10TSHR | |
| SCHEMBL2300089 | 0.82 | HPGD (0.54) | KMT2AALDH1A1HSD17B10TSHRMAPT | |
| SCHEMBL20871331 | 0.81 | PTGS2 (0.39) | PTGS2KMT2AALDH1A1HSD17B10TSHR | |
| SCHEMBL12268187 | 0.80 | KMT2A (0.49) | PTGS2KMT2AALDH1A1HSD17B10MEN1 | |
| SCHEMBL15928874 | 0.77 | KMT2A (0.39) | PTGS2KMT2AALDH1A1HSD17B10TSHR | |
| SCHEMBL14010493 | 0.76 | KDM4E (0.46) | PTGS2KMT2AALDH1A1HSD17B10TSHR | |
| SCHEMBL15928965 | 0.76 | KMT2A (0.38) | PTGS2KMT2AALDH1A1HSD17B10TSHR |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3692014-B1 | PROBE FOR SELECTIVELY CHARACTERIZING ENZYMES INVOLVED IN XENOBIOTIC METABOLISM AND METHOD OF MAKING AND USING THE SAME | BATTELLE MEMORIAL INSTITUTE (US) | 2023-11-22 | — | — | EP | disclosed |
| US-11345950-B2 | Probe for selectively characterizing enzymes involved in xenobiotic metabolism and method of making and using the same | BATTELLE MEMORIAL INSTITUTE (US) | 2022-05-31 | — | — | US | disclosed |
| WO-2019069297-A2 | PROBE FOR SELECTIVELY CHARACTERIZING ENZYMES INVOLVED IN XENOBIOTIC METABOLISM AND METHOD OF MAKING AND USING THE SAME | KILLINGER, BYRAN J. (US) | 2019-04-11 | — | — | WO | disclosed |
| WO-2019070906-A1 | PROBE FOR SELECTIVELY CHARACTERIZING ENZYMES INVOLVED IN XENOBIOTIC METABOLISM AND METHOD OF MAKING AND USING THE SAME | WRIGHT AARON T (US) | 2019-04-11 | — | — | WO | disclosed |
| US-20190100792-A1 | PROBE FOR SELECTIVELY CHARACTERIZING ENZYMES INVOLVED IN XENOBIOTIC METABOLISM AND METHOD OF MAKING AND USING THE SAME | BATTELLE MEMORIAL INSTITUTE | 2019-04-04 | — | — | 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 (2 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-11345950-B2 | Probe for selectively characterizing enzymes involved in xenobiotic metabolism and method of making and using the same | CYP2E1, CYP1A1, CYP7A1 | PTGS2 1867/4885KMT2A 3560/4885ALDH1A1 150/4885 |
| US-20190100792-A1 | PROBE FOR SELECTIVELY CHARACTERIZING ENZYMES INVOLVED IN XENOBIOTIC METABOLISM AND METHOD OF MAKING AND USING THE SAME | CYP2E1, CYP1A1, CYP7A1 | PTGS2 1867/4885KMT2A 3560/4885ALDH1A1 150/4885 |
“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.