Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 1/20 | 0.58 |
| ▸ | CA1 | P00915 | 1/20 | 0.58 |
| ▸ | CA2 | P00918 | 1/20 | 0.58 |
| ▸ | CA9 | Q16790 | 1/20 | 0.58 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.54 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.54 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.54 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.54 |
| ▸ | POLB | P06746 | 1/20 | 0.52 |
| ▸ | RAB9A | P51151 | 4/20 | 0.48 |
| ▸ | NPC1 | O15118 | 3/20 | 0.48 |
| ▸ | EPHX1 | P07099 | 4/20 | 0.48 |
| ▸ | GAA | P10253 | 1/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | PTPN7 | P35236 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL28193805 | 1.00 | CA12 (0.58) | CA12CA1CA2CA9CYP3A4 | |
| SCHEMBL28563323 | 0.86 | CA12 (0.51) | CA12CA1CA2CA9CYP3A4 | |
| SCHEMBL28563320 | 0.86 | CA12 (0.51) | CA12CA1CA2CA9CYP3A4 | |
| SCHEMBL28563321 | 0.85 | CA12 (0.50) | CA12CA1CA2CA9CYP3A4 | |
| SCHEMBL12793783 | 0.83 | CA12 (0.72) | CA12CA1CA2CA9CYP3A4 | |
| SCHEMBL22470431 | 0.81 | EPHX1 (0.57) | CA12CA1CA2CA9CYP3A4 | |
| SCHEMBL4010742 | 0.78 | EPHX2 (0.66) | CA12CA1CA2CA9CYP3A4 | |
| SCHEMBL28562966 | 0.77 | EPHX2 (0.62) | EPHX2 | |
| SCHEMBL28562963 | 0.77 | EPHX2 (0.62) | EPHX2 | |
| SCHEMBL28194297 | 0.77 | EPHX1 (0.71) | CA12CA1CA2CA9CYP2C9 |
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-107793360-B | Indoleamine 2, 3-dioxygenase inhibitor and application thereof | 南京药捷安康生物科技有限公司 | 2021-05-28 | — | — | CN | disclosed |