Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 4/20 | 0.49 |
| ▸ | CYP2B6 | P20813 | 2/20 | 0.49 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.49 |
| ▸ | NOTUM | Q6P988 | 2/20 | 0.37 |
| ▸ | MAP3K12 | Q12852 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | CTSC | P53634 | 1/20 | 0.36 |
| ▸ | PDGFRB | P09619 | 5/20 | 0.35 |
| ▸ | PDGFRA | P16234 | 5/20 | 0.35 |
| ▸ | CHRNB2 | P17787 | 2/20 | 0.35 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.35 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.35 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL4876306 | 0.82 | CHRM2 (0.34) | CYP2A6CYP2B6CYP2E1MAP3K12CYP3A4 | |
| SCHEMBL4877961 | 0.78 | CYP2A6 (0.43) | CYP2A6CYP2B6CYP2E1 | |
| SCHEMBL1335684 | 0.69 | HCAR2 (0.36) | ALDH1A1 | |
| SCHEMBL1335683 | 0.69 | HCAR2 (0.36) | ALDH1A1 | |
| SCHEMBL3601434 | 0.67 | CYP2A6 (1.00) | CYP2A6CYP2B6CYP2E1CYP3A4CYP2C9 | |
| SCHEMBL12741374 | 0.64 | OPRM1 (0.44) | CHRNA7ALDH1A1CYP1A2KMT2A | |
| SCHEMBL17027857 | 0.63 | CYP2A6 (0.61) | CYP2A6CYP2B6CYP2E1CYP3A4CYP2C9 | |
| SCHEMBL14438063 | 0.63 | CYP2A6 (0.61) | CYP2A6CYP2B6CYP2E1CYP3A4CYP2C9 | |
| SCHEMBL15024690 | 0.63 | — | — | |
| SCHEMBL24610476 | 0.63 | MAP3K12 (0.40) | MAP3K12CHRNB2CHRNA7CHRNA4CHRNA3 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20080153806-A1 | Novel Diazabicyclic Aryl Derivatives And Their Medical Use | NEUROSEARCH A/S (DK) | 2008-06-26 | — | — | US | claimed |
| EP-1805183-A1 | NOVEL DIAZABICYCLIC ARYL DERIVATIVES AND THEIR MEDICAL USE | NeuroSearch A/S (DK) | 2007-07-11 | — | — | EP | claimed |
| WO-2006045716-A1 | NOVEL DIAZABICYCLIC ARYL DERIVATIVES AND THEIR MEDICAL USE | NEUROSEARCH A/S (DK) | 2006-05-04 | — | — | WO | claimed |
| US-20080153806-A1 | Novel Diazabicyclic Aryl Derivatives And Their Medical Use | NEUROSEARCH A/S (DK) | 2008-06-26 | — | — | US | disclosed |
| EP-1805183-A1 | NOVEL DIAZABICYCLIC ARYL DERIVATIVES AND THEIR MEDICAL USE | NeuroSearch A/S (DK) | 2007-07-11 | — | — | EP | disclosed |
| WO-2006045716-A1 | NOVEL DIAZABICYCLIC ARYL DERIVATIVES AND THEIR MEDICAL USE | NEUROSEARCH A/S (DK) | 2006-05-04 | — | — | 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-20080153806-A1 | Novel Diazabicyclic Aryl Derivatives And Their Medical Use | CHRNA6, CHRNA10, CHRNA2 | CYP2A6 509/4885CYP2B6 377/4885CYP2E1 1076/4885 |
“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.