Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.54 |
| ▸ | CYP2A6 | P11509 | 3/20 | 0.54 |
| ▸ | ALDH1A3 | P47895 | 1/20 | 0.48 |
| ▸ | DRD1 | P21728 | 1/20 | 0.44 |
| ▸ | STS | P08842 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 2/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.40 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.39 |
| ▸ | PARP3 | Q9Y6F1 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | TYR | P14679 | 1/20 | 0.39 |
| ▸ | CYP2A13 | Q16696 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | ALDH5A1 | P51649 | 1/20 | 0.38 |
| ▸ | ABAT | P80404 | 1/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 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 | |
|---|---|---|---|---|
| SCHEMBL97114 | 0.83 | ALDH1A1 (0.52) | ALDH1A1CYP2A6ALDH1A3DRD1STS | |
| SCHEMBL387263 | 0.83 | ALDH1A1 (0.58) | ALDH1A1CYP2A6ALDH1A3DRD1STS | |
| Hydrochloric Acid SCHEMBL3539828 | 0.81 | ALDH1A1 (0.50) | ALDH1A1CYP2A6ALDH1A3DRD1STS | |
| SCHEMBL17103331 | 0.79 | ALDH1A1 (0.48) | ALDH1A1CYP2A6ALDH1A3DRD1STS | |
| SCHEMBL9804739 | 0.79 | ALDH1A1 (0.48) | ALDH1A1CYP2A6ALDH1A3DRD1STS | |
| SCHEMBL9242231 | 0.78 | ALDH1A1 (0.47) | ALDH1A1CYP2A6ALDH1A3DRD1STS | |
| SCHEMBL3464474 | 0.78 | CYP2D6 (0.48) | ALDH1A1CYP2A6ALDH1A3DRD1STS | |
| SCHEMBL9006624 | 0.78 | ALDH1A1 (0.47) | ALDH1A1CYP2A6ALDH1A3DRD1STS | |
| SCHEMBL505301 | 0.78 | DRD1 (0.56) | ALDH1A1CYP2A6ALDH1A3DRD1STS | |
| SCHEMBL1744566 | 0.78 | PARP10 (0.50) | ALDH1A1CYP2A6ALDH1A3DRD1STS |
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 |
|---|---|---|---|---|---|---|---|
| US-20120128630-A1 | 1-(6 MEMBERS AZO-HETEROCYCLIC)-PYRROLIN-2-ONE COMPOUNDS AS INHIBITORS OF HEPATITIS C NS5B POLYMERASE, THE PHARAMACEUTICAL COMPOSITION THEREOF AND THEIR THERAPEUTIC USE | VIVALIS (FR) | 2012-05-24 | — | — | US | disclosed |
| EP-2451800-A1 | 1-(6 MEMBERS AZO-HETEROCYCLIC)-PYRROLIN-2-ONE COMPOUNDS AS INHIBITORS OF HEPATITIS C NS5B POLYMERASE, THE PHARMACEUTICAL COMPOSITION THEREOF AND THEIR THERAPEUTIC USE | Vivalis (FR) | 2012-05-16 | — | — | EP | disclosed |
| WO-2011004017-A1 | 1-(6 MEMBERS AZO-HETEROCYCLIC)-PYRROLIN-2-ONE COMPOUNDS AS INHIBITORS OF HEPATITIS C NS5B POLYMERASE, THE PHARMACEUTICAL COMPOSITION THEREOF AND THEIR THERAPEUTIC USE | VIVALIS (FR) | 2011-01-13 | — | — | WO | disclosed |
| US-6974870-B2 | Substituted 3-amino-thieno [2,3-b]pyridine-2-carboxylic acid amide compounds and processes for preparing and their uses | BOEHRINGER INGELHEIM PHAMACEUTICALS, INC. (US) | 2005-12-13 | — | — | US | disclosed |
| US-20040180922-A1 | Substituted 3-amino-thieno [2,3-b]pyridine-2-carboxylic acid amide compounds and processes for preparing and their uses | BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) | 2004-09-16 | — | — | 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-20120128630-A1 | 1-(6 MEMBERS AZO-HETEROCYCLIC)-PYRROLIN-2-ONE COMPOUNDS AS INHIBITORS OF HEPATITIS C NS5B POLYMERASE, THE PHARAMACEUTICAL COMPOSITION THEREOF AND THEIR THERAPEUTIC USE | NAT1, POLM, PYGL | ALDH1A1 1657/4885CYP2A6 199/4885ALDH1A3 3370/4885 |
| US-20040180922-A1 | Substituted 3-amino-thieno [2,3-b]pyridine-2-carboxylic acid amide compounds and processes for preparing and their uses | NFKBIA, IKBKB, CHUK | ALDH1A1 2562/4885CYP2A6 2033/4885ALDH1A3 4133/4885 |
“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.