Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 4/20 | 0.48 |
| ▸ | CA1 | P00915 | 4/20 | 0.48 |
| ▸ | CA9 | Q16790 | 4/20 | 0.48 |
| ▸ | CA2 | P00918 | 2/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.41 |
| ▸ | ALDH2 | P05091 | 1/20 | 0.41 |
| ▸ | MGLL | Q99685 | 1/20 | 0.41 |
| ▸ | MMP1 | P03956 | 1/20 | 0.39 |
| ▸ | MMP2 | P08253 | 1/20 | 0.39 |
| ▸ | MMP3 | P08254 | 1/20 | 0.39 |
| ▸ | MMP8 | P22894 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 3/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 2/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 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 | |
|---|---|---|---|---|
| SCHEMBL11221777 | 0.80 | CA12 (0.52) | CA12CA1CA9CA2ALDH1A1 | |
| SCHEMBL26478834 | 0.79 | — | — | |
| SCHEMBL18948960 | 0.78 | CA12 (0.50) | CA12CA1CA9CA2ALDH1A1 | |
| SCHEMBL8059664 | 0.76 | CA12 (0.59) | CA12CA1CA9CA2ALDH1A1 | |
| SCHEMBL10664150 | 0.74 | CA12 (0.48) | CA12CA1CA9CA2ALDH1A1 | |
| SCHEMBL23891109 | 0.73 | CA12 (0.45) | CA12CA1CA9CA2ALDH1A1 | |
| SCHEMBL19633349 | 0.73 | CA12 (0.45) | CA12CA1CA9CA2ALDH1A1 | |
| SCHEMBL20686882 | 0.72 | CA12 (0.46) | CA12CA1CA9CA2ALDH1A1 | |
| SCHEMBL11802604 | 0.72 | CA12 (0.54) | CA12CA1CA9CA2ALDH1A1 | |
| SCHEMBL498026 | 0.71 | CA12 (0.59) | CA12CA1CA9CA2ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3505171-A1 | BICYCLIC NITROGENATED HETEROCYCLIC COMPOUND | Mitsubishi Tanabe Pharma Corporation (JP) | 2019-07-03 | — | — | EP | disclosed |