Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 2/20 | 0.37 |
| ▸ | S1PR4 | O95977 | 1/20 | 0.34 |
| ▸ | ERN1 | O75460 | 1/20 | 0.32 |
| ▸ | CCR1 | P32246 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | MAOA | P21397 | 1/20 | 0.31 |
| ▸ | ACHE | P22303 | 1/20 | 0.31 |
| ▸ | PDE4A | P27815 | 1/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.31 |
| ▸ | CYP2A13 | Q16696 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.31 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
| ▸ | BACE1 | P56817 | 1/20 | 0.31 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL24387333 | 0.74 | CYP2A6 (0.33) | CYP2A6S1PR4CCR1 | |
| SCHEMBL29750148 | 0.74 | CYP2A6 (0.33) | CYP2A6S1PR4CCR1 | |
| SCHEMBL844102 | 0.70 | KMO (0.39) | TSHRALDH1A1 | |
| SCHEMBL31056535 | 0.70 | KMO (0.39) | TSHRALDH1A1 | |
| SCHEMBL658129 | 0.70 | ASIC3 (0.41) | CYP2A6CYP3A4MAOAMAPK1 | |
| SCHEMBL842329 | 0.69 | NOTUM (0.38) | S1PR4CCR1CYP3A4 | |
| SCHEMBL4802949 | 0.69 | MAPT (0.38) | CYP2A6CYP3A4CYP1A2CYP2D6TSHR | |
| SCHEMBL6849345 | 0.69 | LMNA (0.47) | ALDH1A1 | |
| SCHEMBL27615050 | 0.68 | CYP3A4 (0.41) | CYP2A6CYP3A4CYP1A2CYP2D6TSHR | |
| SCHEMBL6665518 | 0.67 | MAOA (0.31) | CYP2A6CYP3A4CYP1A2CYP2D6TSHR |
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 17 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1432707-B1 | AZABICYCLIC-SUBSTITUTED FUSED-HETEROARYL COMPOUNDS FOR THE TREATMENT OF DISEASE | PHARMACIA & UPJOHN CO LLC (US) | 2012-03-28 | — | — | EP | disclosed |
| US-7067515-B2 | Quinuclidines-substituted-multi-cyclic-heteroaryls for the treatment of disease | PFIZER INC. (US) | 2006-06-27 | — | — | US | disclosed |
| US-20060019984-A1 | Treatment of diseases with alpha-7nACh receptor full agonists | PFIZER INC | 2006-01-26 | — | — | US | disclosed |
| US-20050245504-A1 | Treatment of diseases with combinations of alpha 7 Nicotinic Acetylcholine Receptor agonists and other compounds | CORBETT JEFFREY W | 2005-11-03 | — | — | US | disclosed |
| US-20050234092-A1 | Azabicyclic-substituted fused heteroaryl compounds for the treatment of disease | PFIZER INC | 2005-10-20 | — | — | US | disclosed |
| US-20050222196-A1 | Azabicyclic-substituted fused heteroaryl compounds for the treatment of disease | PFIZER INC. | 2005-10-06 | — | — | US | disclosed |
| EP-1572300-A1 | COMBINATION FOR THE TREATMENT OF ADHD | Pharmacia & Upjohn Company LLC (US) | 2005-09-14 | — | — | EP | disclosed |
| US-6911543-B2 | Azabicyclic-substituted fused-heteroaryl compounds for the treatment of disease | PFIZER INC. (US) | 2005-06-28 | — | — | US | disclosed |
| US-20050107425-A1 | Treatment of attention defecit hyperactivity disorder | PFIZER INC | 2005-05-19 | — | — | US | disclosed |
| EP-1432707-A1 | AZABICYCLIC-SUBSTITUTED FUSED-HETEROARYL COMPOUNDS FOR THE TREATMENT OF DISEASE | PHARMACIA & UPJOHN COMPANY (US) | 2004-06-30 | — | — | EP | disclosed |
| WO-2004052461-A1 | COMBINATION FOR THE TREATMENT OF ADHD | PHARMACIA & UPJOHN COMPANY LLC (US) | 2004-06-24 | — | — | WO | disclosed |
| WO-2004039366-A1 | NICOTINIC ACETYLCHOLINE AGONISTS IN THE TREATMENT OF GLAUCOMA AND RETINAL NEUROPATHY | PHARMACIA & UPJOHN COMPANY LLC (US) | 2004-05-13 | — | — | WO | disclosed |
| EP-1406901-A1 | QUINUCLIDINES-SUBSTITUTED-MULTI-CYCLIC-HETEROARYLS FOR THE TREATMENT OF DISEASE | PHARMACIA & UPJOHN COMPANY (US) | 2004-04-14 | — | — | EP | disclosed |
| US-20030153595-A1 | Azabicyclic-substituted fused-heteroaryl compounds for the treatment of disease | PHARMACIA & UPJOHN COMPANY | 2003-08-14 | — | — | US | disclosed |
| WO-2003029252-A1 | AZABICYCLIC-SUBSTITUTED FUSED-HETEROARYL COMPOUNDS FOR THE TREATMENT OF DISEASE | PHARMACIA & UPJOHN COMPANY (US) | 2003-04-10 | — | — | WO | disclosed |
| US-20030045540-A1 | Quinuclidines-substituted-multi-cyclic-heteroaryls for the treatment of disease | PHARMACIA & UPJOHN COMPANY | 2003-03-06 | — | — | US | disclosed |
| WO-2002100857-A1 | QUINUCLIDINES-SUBSTITUTED-MULTI-CYCLIC-HETEROARYLS FOR THE TREATMENT OF DISEASE | PHARMACIA & UPJOHN COMPANY (US) | 2002-12-19 | — | — | 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 (7 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-20050245504-A1 | Treatment of diseases with combinations of alpha 7 Nicotinic Acetylcholine Receptor agonists and other compounds | CHRNA7, CHRNG, CHRNE | CYP2A6 2378/4885S1PR4 1135/4885ERN1 2888/4885 |
| US-20050234092-A1 | Azabicyclic-substituted fused heteroaryl compounds for the treatment of disease | UGT2B7, CYP3A7, UGT1A7 | CYP2A6 159/4885S1PR4 1447/4885ERN1 4569/4885 |
| US-20030153595-A1 | Azabicyclic-substituted fused-heteroaryl compounds for the treatment of disease | MALT1, TPMT, ABCB1 | CYP2A6 102/4885S1PR4 1604/4885ERN1 4356/4885 |
| US-20060019984-A1 | Treatment of diseases with alpha-7nACh receptor full agonists | CHRNA7, CHRNA1, CHRNG | CYP2A6 3477/4885S1PR4 1501/4885ERN1 4466/4885 |
| US-20030045540-A1 | Quinuclidines-substituted-multi-cyclic-heteroaryls for the treatment of disease | NQO2, SLC10A1, CYP7A1 | CYP2A6 139/4885S1PR4 3351/4885ERN1 3739/4885 |
| US-20050222196-A1 | Azabicyclic-substituted fused heteroaryl compounds for the treatment of disease | UGT2B7, CYP3A7, UGT1A7 | CYP2A6 159/4885S1PR4 1447/4885ERN1 4569/4885 |
| US-20050107425-A1 | Treatment of attention defecit hyperactivity disorder | CHRNA7, CHRNA10, SLC18A3 | CYP2A6 656/4885S1PR4 2590/4885ERN1 4834/4885 |
“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.