Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 5/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 5/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 5/20 | 0.39 |
| ▸ | TSHR | P16473 | 3/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | MAOA | P21397 | 2/20 | 0.37 |
| ▸ | MAOB | P27338 | 2/20 | 0.37 |
| ▸ | FTO | Q9C0B1 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 3/20 | 0.36 |
| ▸ | HPRT1 | P00492 | 1/20 | 0.36 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.35 |
| ▸ | MAPT | P10636 | 2/20 | 0.35 |
| ▸ | PMP22 | Q01453 | 2/20 | 0.35 |
| ▸ | GMNN | O75496 | 1/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | ELANE | P08246 | 1/20 | 0.35 |
| ▸ | CTSG | P08311 | 1/20 | 0.35 |
| ▸ | CTSA | P10619 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL28471616 | 0.70 | ALDH1A1 (0.39) | CYP2A6CYP1A2ALDH1A1HSD17B10TSHR | |
| SCHEMBL2012336 | 0.70 | ALDH1A1 (0.39) | CYP2A6CYP1A2ALDH1A1HSD17B10TSHR | |
| SCHEMBL276956 | 0.70 | ALDH1A1 (0.39) | CYP2A6CYP1A2ALDH1A1HSD17B10TSHR | |
| SCHEMBL286416 | 0.70 | ALDH1A1 (0.39) | CYP2A6CYP1A2ALDH1A1HSD17B10TSHR | |
| SCHEMBL1605255 | 0.70 | ALDH1A1 (0.39) | CYP2A6CYP1A2ALDH1A1HSD17B10TSHR | |
| SCHEMBL4897405 | 0.70 | ALDH1A1 (0.39) | CYP2A6CYP1A2ALDH1A1HSD17B10TSHR | |
| SCHEMBL1097671 | 0.70 | CYP2A6 (0.42) | CYP2A6CYP1A2ALDH1A1HSD17B10TSHR | |
| SCHEMBL2008998 | 0.70 | ALDH1A1 (0.42) | CYP2A6CYP1A2ALDH1A1HSD17B10TSHR | |
| SCHEMBL21179481 | 0.70 | ALDH1A1 (0.39) | CYP2A6CYP1A2ALDH1A1HSD17B10TSHR | |
| SCHEMBL5355520 | 0.70 | ALDH1A1 (0.39) | CYP2A6CYP1A2ALDH1A1HSD17B10TSHR |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-104245685-B | The production method of (acetylene-1,2-diyl) double (isobenzofuran-1,3-diketone) | 聂克斯姆化学有限公司 | 2016-09-07 | — | — | CN | claimed |
| CN-105712991-B | 7 7-azaindole derivatives | 默克专利股份公司 | 2017-12-01 | — | — | CN | disclosed |
| CN-105732617-B | 7 7-azaindole derivatives | 默克专利股份公司 | 2017-12-01 | — | — | CN | disclosed |
| CN-103052640-B | Furopyridine Derivatives | 默克专利股份公司 | 2017-06-30 | — | — | CN | disclosed |
| CN-104245685-B | The production method of (acetylene-1,2-diyl) double (isobenzofuran-1,3-diketone) | 聂克斯姆化学有限公司 | 2016-09-07 | — | — | CN | disclosed |
| CN-103502247-B | 7-azaindole derivatives | MERCK PATENT GMBH (DE) | 2016-02-24 | — | — | CN | disclosed |
| CN-103502247-A | 7-azaindole derivatives | MERCK PATENT GMBH | 2014-01-08 | — | — | CN | disclosed |
| US-20090197872-A1 | NOVEL 1,4-DIAZA-BICYCLO[3.2.2]NONYL PYRIMIDINYL DERIVATIVES AND THEIR MEDICAL USE | NEUROSEARCH A/S (DK) | 2009-08-06 | — | — | US | disclosed |
| EP-1678138-A1 | PYRIDINE COMPOUNDS AS INHIBITORS OF DIPEPTIDYL PEPTIDASE IV | Takeda Pharmaceutical Company Limited (JP) | 2006-07-12 | — | — | EP | disclosed |
| WO-2005042488-A1 | PYRIDINE COMPOUNDS AS INHIBITORS OF DIPEPTIDYL PEPTIDASE IV | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2005-05-12 | — | — | WO | 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-20090197872-A1 | NOVEL 1,4-DIAZA-BICYCLO[3.2.2]NONYL PYRIMIDINYL DERIVATIVES AND THEIR MEDICAL USE | CHRNA2, CHRNA6, CHRNA3 | CYP2A6 1277/4885CYP1A2 952/4885ALDH1A1 1101/4885 |
“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.