Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A1 | P04798 | 1/20 | 0.47 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.37 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL3606353 | 0.92 | CYP1A1 (0.41) | CYP1A1CYP1B1ALDH1A1 | |
| SCHEMBL1557265 | 0.87 | LTA4H (0.45) | ALDH1A1CHRNB2CHRNA4KDM4E | |
| SCHEMBL2953529 | 0.86 | SMN1; SMN2 (0.49) | ALDH1A1CHRNB2CHRNA4KDM4EGAA | |
| SCHEMBL7444 | 0.86 | — | — | |
| SCHEMBL7453614 | 0.85 | POLB (0.41) | CHRNB2CHRNA4 | |
| SCHEMBL3881071 | 0.84 | CYP1A1 (0.43) | CYP1A1CYP1B1CHRNB2CHRNA4 | |
| Cyanide SCHEMBL28133661 | 0.80 | CYP1A1 (0.41) | CYP1A1CYP1B1CHRNB2CHRNA4 | |
| SCHEMBL1487625 | 0.78 | GRM5 (0.46) | — | |
| SCHEMBL23087237 | 0.76 | CA12 (0.52) | CYP1A1CYP1B1ALDH1A1 | |
| SCHEMBL4441012 | 0.76 | CYP3A4 (0.38) | CYP1A1CYP1B1ALDH1A1 |
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-7101896-B2 | Pharmaceutical compositions and methods for use | TARGACEPT, INC. (US) | 2006-09-05 | — | — | US | disclosed |
| US-20050267111-A1 | Pharmaceutical compositions and methods for use | DULL GARY M | 2005-12-01 | — | — | US | disclosed |
| US-6890935-B2 | Pharmaceutical compositions and methods for use | TARGACEPT, INC. (US) | 2005-05-10 | — | — | US | disclosed |
| WO-2002088114-A2 | HETEROARYL OFEFINIC AZACYCLIC AND HETEROARYL ACETYLENIC AZACYCLIC COMPOUNDS FOR THE TREATMENT OF CNS DISORDERS | TARGACEPT, INC. (US) | 2002-11-07 | — | — | WO | disclosed |
| US-20020058652-A1 | Pharmaceutical compositions and methods for use | TARGACEPT, INC. | 2002-05-16 | — | — | 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-20050267111-A1 | Pharmaceutical compositions and methods for use | CYP3A7, AADAC, CYP2B6 | CYP1A1 35/4885CYP1B1 20/4885ALDH1A1 292/4885 |
| US-20020058652-A1 | Pharmaceutical compositions and methods for use | CYP3A7, AADAC, CYP2B6 | CYP1A1 35/4885CYP1B1 20/4885ALDH1A1 292/4885 |
“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.