Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TBXAS1 | P24557 | 2/20 | 0.45 |
| ▸ | ESR1 | P03372 | 3/20 | 0.43 |
| ▸ | F7 | P08709 | 1/20 | 0.42 |
| ▸ | F3 | P13726 | 1/20 | 0.42 |
| ▸ | SARM1 | Q6SZW1 | 1/20 | 0.42 |
| ▸ | SIRT2 | Q8IXJ6 | 1/20 | 0.42 |
| ▸ | SIRT6 | Q8N6T7 | 1/20 | 0.42 |
| ▸ | SIRT1 | Q96EB6 | 1/20 | 0.42 |
| ▸ | SIRT3 | Q9NTG7 | 1/20 | 0.42 |
| ▸ | SIRT5 | Q9NXA8 | 1/20 | 0.42 |
| ▸ | SIRT4 | Q9Y6E7 | 1/20 | 0.42 |
| ▸ | CYP19A1 | P11511 | 3/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | GAA | P10253 | 2/20 | 0.40 |
| ▸ | APP | P05067 | 1/20 | 0.40 |
| ▸ | HCAR3 | P49019 | 1/20 | 0.40 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | PLOD2 | O00469 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 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 | |
|---|---|---|---|---|
| SCHEMBL9720311 | 0.86 | TBXAS1 (0.46) | TBXAS1ESR1CYP19A1ALDH1A1GAA | |
| SCHEMBL12197985 | 0.82 | ESR1 (0.49) | TBXAS1ESR1F7F3SARM1 | |
| SCHEMBL21228599 | 0.82 | ESR1 (0.49) | TBXAS1ESR1F7F3SARM1 | |
| SCHEMBL5199056 | 0.75 | TBXAS1 (0.51) | TBXAS1ESR1F7F3SARM1 | |
| SCHEMBL3128200 | 0.74 | TBXAS1 (0.61) | TBXAS1ESR1F7F3SARM1 | |
| SCHEMBL17135323 | 0.74 | ALDH1A1 (0.52) | TBXAS1ESR1F7F3SARM1 | |
| SCHEMBL6921845 | 0.74 | ALDH1A1 (0.52) | TBXAS1ESR1F7F3SARM1 | |
| SCHEMBL18469285 | 0.74 | ALDH1A1 (0.52) | TBXAS1ESR1F7F3SARM1 | |
| Ammonia Solution, Strong SCHEMBL27802137 | 0.72 | TBXAS1 (0.50) | TBXAS1ESR1F7F3SARM1 | |
| SCHEMBL7751636 | 0.72 | TBXAS1 (0.66) | TBXAS1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1171127-A2 | PHARMACEUTICAL COMPOSITIONS CONTAINING PYRIDINE OR PYRIMIDINE DERIVATIVES FOR INHIBITION OF CYTOKINE PRODUCTION AND SECRETION | Targacept, Inc. (US) | 2002-01-16 | — | — | EP | disclosed |
| WO-2000062767-A2 | PHARMACEUTICAL COMPOSITIONS CONTAINING PYRIDINE OR PYRIMIDINE DERIVATES FOR INHIBITION OF CYTOKINE PRODUCTION AND SECRETION | TARGACEPT, INC. (US) | 2000-10-26 | — | — | WO | disclosed |