Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AHR | P35869 | 1/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.42 |
| ▸ | CHRNB1 | P11230 | 1/20 | 0.41 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.41 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.41 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.41 |
| ▸ | CHRNB3 | Q05901 | 1/20 | 0.41 |
| ▸ | CTSA | P10619 | 1/20 | 0.40 |
| ▸ | HSD11B1 | P28845 | 2/20 | 0.40 |
| ▸ | NPC1 | O15118 | 2/20 | 0.39 |
| ▸ | HPGD | P15428 | 2/20 | 0.39 |
| ▸ | RAB9A | P51151 | 2/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.39 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 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 | |
|---|---|---|---|---|
| SCHEMBL5888962 | 0.83 | CYP2A6 (0.40) | KMT2ACYP2A6NPC1HPGDRAB9A | |
| SCHEMBL4771 | 0.80 | CYP2A6 (0.47) | KMT2ACYP2A6CTSANPC1RAB9A | |
| SCHEMBL28504263 | 0.79 | CSNK2A1 (0.55) | CYP2A6PTK2 | |
| SCHEMBL21201466 | 0.78 | ADH5 (0.52) | RAB9ASRD5A2TSHR | |
| SCHEMBL5116017 | 0.77 | CYP2A6 (0.52) | CYP2A6PTK2 | |
| SCHEMBL21201361 | 0.76 | DHODH (0.48) | KMT2ACTSANPC1HPGDRAB9A | |
| SCHEMBL32670439 | 0.75 | AHR (0.57) | AHRHSD11B1NPC1HPGDRAB9A | |
| SCHEMBL28503202 | 0.75 | CYP2A6 (0.39) | KMT2ACYP2A6PTK2 | |
| SCHEMBL9413208 | 0.75 | CSNK2A1 (0.46) | AHRCHRNB1CHRNB2CHRNB4CHRNA3 | |
| SCHEMBL16143069 | 0.74 | AHR (0.52) | AHRKMT2AHSD11B1NPC1HPGD |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7442694-B2 | Diazabicyclic compounds useful in the treatment of CNS and other disorders | PFIZER INC (US) | 2008-10-28 | — | — | US | disclosed |
| EP-1551843-A1 | DIAZABICYCLIC COMPOUNDS USEFUL IN THE TREATMENT OF CNS AND OTHER DISORDERS | Pfizer Products Inc. (US) | 2005-07-13 | — | — | EP | disclosed |
| US-20040106603-A1 | Diazabicyclic compounds useful in the treatment of CNS and other disorders | PFIZER INC | 2004-06-03 | — | — | US | disclosed |
| WO-2004024729-A1 | DIAZABICYCLIC COMPOUNDS USEFUL IN THE TREATMENT OF CNS AND OTHER DISORDERS | PFIZER PRODUCTS INC. (US) | 2004-03-25 | — | — | 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-20040106603-A1 | Diazabicyclic compounds useful in the treatment of CNS and other disorders | DBH, CHRNA6, DDT | AHR 457/4885KMT2A 2103/4885CYP2A6 240/4885 |
“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.