Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 2/20 | 0.51 |
| ▸ | CYP11B2 | P19099 | 3/20 | 0.43 |
| ▸ | NPC1 | O15118 | 2/20 | 0.42 |
| ▸ | TSHR | P16473 | 2/20 | 0.42 |
| ▸ | RAB9A | P51151 | 2/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.42 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.41 |
| ▸ | 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 |
| ▸ | ALPL | P05186 | 2/20 | 0.40 |
| ▸ | LCK | P06239 | 1/20 | 0.40 |
| ▸ | KDR | P35968 | 1/20 | 0.40 |
| ▸ | JAK3 | P52333 | 1/20 | 0.40 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | NPY5R | Q15761 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL12104804 | 0.81 | CYP2A6 (0.55) | CYP2A6CYP11B2NPC1TSHRRAB9A | |
| SCHEMBL7475844 | 0.78 | TSHR (0.44) | NPC1TSHRRAB9ASMN1; SMN2TRPA1 | |
| SCHEMBL3399384 | 0.78 | LCK (0.46) | NPC1TSHRRAB9ASMN1; SMN2TRPA1 | |
| SCHEMBL431784 | 0.78 | CYP11B2 (0.51) | CYP2A6CYP11B2NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL4771 | 0.78 | CYP2A6 (0.47) | CYP2A6NPC1RAB9ASMN1; SMN2TRPA1 | |
| SCHEMBL27783776 | 0.78 | KDM1A (0.49) | CYP2A6CYP11B2NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL1119500 | 0.77 | PDGFRB (0.51) | CYP11B2NPC1TSHRRAB9ASMN1; SMN2 | |
| SCHEMBL21364096 | 0.76 | ALOX5AP (0.41) | CYP2A6NPC1TSHRRAB9ASMN1; SMN2 | |
| SCHEMBL1935147 | 0.76 | CYP11B1 (0.49) | CYP2A6CYP11B2NPC1TSHRRAB9A | |
| SCHEMBL29327575 | 0.76 | CYP2A6 (0.43) | CYP2A6NPC1TSHRRAB9AMAPK14 |
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 |
|---|---|---|---|---|---|---|---|
| CN-102958918-A | Novel nicotinamide derivatives or salts thereof | FUJIFILM CORP | 2013-03-06 | — | — | CN | disclosed |
| 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 | CYP2A6 240/4885CYP11B2 403/4885NPC1 356/4885 |
“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.