Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GBA1 | P04062 | 1/20 | 0.67 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.65 |
| ▸ | TSHR | P16473 | 1/20 | 0.65 |
| ▸ | CA2 | P00918 | 7/20 | 0.57 |
| ▸ | CA1 | P00915 | 6/20 | 0.57 |
| ▸ | MEN1 | O00255 | 2/20 | 0.54 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.54 |
| ▸ | CA12 | O43570 | 2/20 | 0.53 |
| ▸ | CA9 | Q16790 | 2/20 | 0.53 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.53 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.53 |
| ▸ | ATM | Q13315 | 1/20 | 0.53 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.53 |
| ▸ | GAA | P10253 | 1/20 | 0.52 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.52 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.51 |
| ▸ | MMP1 | P03956 | 1/20 | 0.50 |
| ▸ | MMP2 | P08253 | 1/20 | 0.50 |
| ▸ | MMP9 | P14780 | 1/20 | 0.50 |
| ▸ | MMP8 | P22894 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL30800478 | 0.87 | CA2 (0.75) | GBA1ALDH1A1TSHRCA2CA1 | |
| SCHEMBL17793667 | 0.84 | GBA1 (0.61) | GBA1ALDH1A1TSHRCA2CA1 | |
| SCHEMBL7862567 | 0.83 | GBA1 (0.74) | GBA1ALDH1A1TSHRCA2CA1 | |
| SCHEMBL27166575 | 0.83 | GBA1 (0.59) | GBA1ALDH1A1TSHRCA2CA1 | |
| SCHEMBL31234586 | 0.81 | CA1 (0.70) | GBA1CA2CA1CA12CA9 | |
| SCHEMBL27939375 | 0.81 | GBA1 (0.67) | GBA1ALDH1A1TSHRCA2CA1 | |
| SCHEMBL28686588 | 0.81 | GBA1 (0.67) | GBA1ALDH1A1TSHRCA2CA1 | |
| SCHEMBL29543465 | 0.81 | GBA1 (0.72) | GBA1ALDH1A1TSHRCA2CA1 | |
| SCHEMBL12169291 | 0.81 | GBA1 (0.61) | GBA1ALDH1A1TSHRCA2CA1 | |
| SCHEMBL28939540 | 0.80 | GBA1 (0.56) | GBA1ALDH1A1TSHRCA2CA1 |
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-3134396-A1 | AMINO PYRIDINE DERIVATIVES AS PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS | Novartis AG (CH) | 2017-03-01 | — | — | EP | disclosed |
| WO-2015162456-A1 | AMINO PYRIDINE DERIVATIVES AS PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS | NOVARTIS AG (CH) | 2015-10-29 | — | — | WO | disclosed |