Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | CA2 | P00918 | 2/20 | 0.31 |
| ▸ | CA1 | P00915 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 2/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | MMP9 | P14780 | 1/20 | 0.31 |
| ▸ | MMP8 | P22894 | 1/20 | 0.31 |
| ▸ | MMP14 | P50281 | 1/20 | 0.31 |
| ▸ | DNM1 | Q05193 | 2/20 | 0.31 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL7526143 | 0.98 | ALDH1A1 (0.33) | CYP3A4ALDH1A1TDP1CA2CA1 | |
| SCHEMBL7530675 | 0.89 | CYP3A4 (0.33) | CYP3A4ALDH1A1TDP1CA2CA1 | |
| SCHEMBL7526349 | 0.87 | DNM1 (0.41) | CYP3A4ALDH1A1TDP1CA2CA1 | |
| SCHEMBL23040696 | 0.86 | CYP3A4 (0.33) | CYP3A4TSHRMMP9MMP8MMP14 | |
| SCHEMBL7529088 | 0.85 | DNM1 (0.44) | TSHRDNM1 | |
| SCHEMBL7534555 | 0.82 | ALDH1A1 (0.34) | CYP3A4ALDH1A1TDP1CA2CA1 | |
| SCHEMBL23040666 | 0.82 | TSHR (0.39) | CYP3A4TSHRMMP9MMP8MMP14 | |
| SCHEMBL23040683 | 0.81 | CYP3A4 (0.31) | CYP3A4MMP9MMP8MMP14 | |
| SCHEMBL23040677 | 0.80 | CYP3A4 (0.33) | CYP3A4MMP9MMP8MMP14 | |
| SCHEMBL23040694 | 0.79 | CYP3A4 (0.32) | CYP3A4CA2CA1TSHRMMP9 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-106470975-A | Synthesis of Polycyclic Carbamoylpyridone Compounds | 吉利德科学公司 | 2017-03-01 | — | — | CN | disclosed |