Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 1/20 | 0.40 |
| ▸ | SCN5A | Q14524 | 1/20 | 0.40 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.40 |
| ▸ | ACACB | O00763 | 2/20 | 0.37 |
| ▸ | KDM1A | O60341 | 1/20 | 0.37 |
| ▸ | MAOB | P27338 | 1/20 | 0.37 |
| ▸ | CYP19A1 | P11511 | 4/20 | 0.37 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.36 |
| ▸ | FNTA | P49354 | 4/20 | 0.36 |
| ▸ | FNTB | P49356 | 4/20 | 0.36 |
| ▸ | PGGT1B | P53609 | 3/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | TDP2 | O95551 | 1/20 | 0.33 |
| ▸ | DHODH | Q02127 | 1/20 | 0.33 |
| ▸ | LYN | P07948 | 1/20 | 0.33 |
| ▸ | RPS6KB1 | P23443 | 1/20 | 0.33 |
| ▸ | MARK3 | P27448 | 1/20 | 0.33 |
| ▸ | FLT3 | P36888 | 1/20 | 0.33 |
| ▸ | GSK3B | P49841 | 1/20 | 0.33 |
| ▸ | STK3 | Q13188 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL6526163 | 0.88 | CYP19A1 (0.41) | MAOBCYP19A1ALDH1A1 | |
| SCHEMBL6474489 | 0.86 | CYP19A1 (0.44) | KDM1AMAOBCYP19A1PTGDR2RPS6KB1 | |
| SCHEMBL6522652 | 0.75 | CYP19A1 (0.42) | KDM1AMAOBCYP19A1PTGDR2ALDH1A1 | |
| SCHEMBL2354712 | 0.74 | CYP19A1 (0.49) | ACACBCYP19A1FNTAFNTBPGGT1B | |
| SCHEMBL30525997 | 0.71 | ESR1 (0.52) | CYP19A1ALDH1A1 | |
| SCHEMBL31739243 | 0.70 | CYP2A6 (0.47) | TRPA1SCN5ASCN9AACACBKDM1A | |
| SCHEMBL201174 | 0.70 | TRPA1 (0.53) | TRPA1SCN5ASCN9AKDM1AMAOB | |
| SCHEMBL28223839 | 0.70 | DAO (0.47) | MAOBALDH1A1DHODH | |
| SCHEMBL690958 | 0.68 | HRH3 (0.54) | MAOBCYP19A1ALDH1A1 | |
| SCHEMBL14433559 | 0.67 | BACE1 (0.55) | TRPA1SCN5ASCN9AACACBKDM1A |
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-1534265-A1 | COMBINATION OF AN AROMATASE INHIBITOR WITH A BISPHOSPHONATE | Novartis AG (CH) | 2005-06-01 | — | — | EP | disclosed |
| WO-2004012728-A1 | COMBINATION OF AN AROMATASE INHIBITOR WITH A BISPHOSPHONATE | NOVARTIS AG (CH) | 2004-02-12 | — | — | WO | disclosed |