Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1C3 | P42330 | 7/20 | 0.51 |
| ▸ | AKR1C2 | P52895 | 7/20 | 0.51 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.45 |
| ▸ | APP | P05067 | 2/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.45 |
| ▸ | IDO1 | P14902 | 1/20 | 0.45 |
| ▸ | PTGS1 | P23219 | 3/20 | 0.45 |
| ▸ | PTGS2 | P35354 | 3/20 | 0.45 |
| ▸ | MEN1 | O00255 | 2/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.45 |
| ▸ | FABP2 | P12104 | 1/20 | 0.45 |
| ▸ | TSHR | P16473 | 1/20 | 0.45 |
| ▸ | AKR1C4 | P17516 | 1/20 | 0.45 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.45 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.45 |
| ▸ | HTR2C | P28335 | 1/20 | 0.45 |
| ▸ | DRD3 | P35462 | 1/20 | 0.45 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.45 |
| ▸ | SLC22A6 | Q4U2R8 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL28513016 | 1.00 | AKR1C3 (0.51) | AKR1C3AKR1C2CYP2C19CYP2C9APP | |
| SCHEMBL28514483 | 0.84 | IDO1 (0.45) | AKR1C3AKR1C2IDO1AKR1C4AKR1C1 | |
| SCHEMBL28514481 | 0.84 | IDO1 (0.45) | AKR1C3AKR1C2IDO1AKR1C4AKR1C1 | |
| SCHEMBL28516866 | 0.82 | IDO1 (0.42) | AKR1C3AKR1C2IDO1AAK1SLC22A12 | |
| SCHEMBL28516867 | 0.82 | IDO1 (0.42) | AKR1C3AKR1C2IDO1AAK1SLC22A12 | |
| SCHEMBL28513610 | 0.81 | IDO1 (0.56) | CYP2C9CYP3A4IDO1PSEN1PSEN2 | |
| SCHEMBL28513612 | 0.81 | IDO1 (0.56) | CYP2C9CYP3A4IDO1PSEN1PSEN2 | |
| SCHEMBL28513031 | 0.78 | PIK3CA (0.39) | AKR1C3AKR1C2IDO1AAK1SLC22A12 | |
| SCHEMBL28513028 | 0.78 | PIK3CA (0.39) | AKR1C3AKR1C2IDO1AAK1SLC22A12 | |
| SCHEMBL25523411 | 0.73 | AAK1 (0.44) | IDO1AAK1PIK3CA |
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-110218182-B | IDO inhibitors | 南京亘泰医药技术有限公司 | 2021-01-26 | — | — | CN | disclosed |