Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDO1 | P14902 | 3/20 | 1.00 |
| ▸ | LRRK2 | Q5S007 | 2/20 | 1.00 |
| ▸ | TTK | P33981 | 2/20 | 0.67 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.67 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.67 |
| ▸ | MAP2K4 | P45985 | 1/20 | 0.67 |
| ▸ | ALPL | P05186 | 1/20 | 0.67 |
| ▸ | GAA | P10253 | 1/20 | 0.67 |
| ▸ | HPGD | P15428 | 1/20 | 0.67 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.67 |
| ▸ | AXL | P30530 | 1/20 | 0.65 |
| ▸ | PIM1 | P11309 | 5/20 | 0.62 |
| ▸ | PIM2 | Q9P1W9 | 2/20 | 0.59 |
| ▸ | PIM3 | Q86V86 | 1/20 | 0.59 |
| ▸ | TDO2 | P48775 | 1/20 | 0.55 |
| ▸ | NTRK1 | P04629 | 1/20 | 0.55 |
| ▸ | AURKA | O14965 | 1/20 | 0.54 |
| ▸ | NPC1 | O15118 | 1/20 | 0.53 |
| ▸ | TP53 | P04637 | 1/20 | 0.53 |
| ▸ | RAB9A | P51151 | 1/20 | 0.53 |
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 | |
|---|---|---|---|---|
| SCHEMBL12318034 | 1.00 | IDO1 (1.00) | IDO1LRRK2TTKKDM4EALDH1A1 | |
| SCHEMBL5872968 | 0.83 | IDO1 (0.68) | IDO1LRRK2TTKKDM4EALDH1A1 | |
| SCHEMBL5768166 | 0.81 | IDO1 (0.66) | IDO1LRRK2KDM4EALDH1A1AXL | |
| SCHEMBL30768403 | 0.81 | ALDH1A1 (1.00) | IDO1LRRK2TTKKDM4EALDH1A1 | |
| SCHEMBL855531 | 0.81 | ALDH1A1 (1.00) | IDO1LRRK2TTKKDM4EALDH1A1 | |
| SCHEMBL4378610 | 0.80 | MAP2K4 (0.68) | IDO1LRRK2TTKMAP2K4AXL | |
| SCHEMBL22819364 | 0.80 | MAP2K4 (1.00) | IDO1LRRK2TTKMAP2K4AXL | |
| SCHEMBL5514698 | 0.80 | MKNK1 (0.72) | IDO1LRRK2MAP2K4AXLPIM1 | |
| SCHEMBL10533662 | 0.79 | IDO1 (0.74) | IDO1LRRK2TTKKDM4EALDH1A1 | |
| SCHEMBL7298569 | 0.79 | ATM (0.69) | IDO1LRRK2TTKKDM4EALDH1A1 |
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-117186066-A | Indazole ALK5 inhibitor and preparation method and application thereof | 中国药科大学 | 2023-12-08 | — | — | CN | disclosed |