Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.51 |
| ▸ | IDO1 | P14902 | 2/20 | 0.51 |
| ▸ | AGXT | P21549 | 2/20 | 0.51 |
| ▸ | RXRA | P19793 | 1/20 | 0.47 |
| ▸ | RXRB | P28702 | 1/20 | 0.47 |
| ▸ | RXRG | P48443 | 1/20 | 0.47 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.47 |
| ▸ | MAOB | P27338 | 3/20 | 0.46 |
| ▸ | MAOA | P21397 | 2/20 | 0.46 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.46 |
| ▸ | HTR3E | A5X5Y0 | 2/20 | 0.45 |
| ▸ | HTR3B | O95264 | 2/20 | 0.45 |
| ▸ | HTR3A | P46098 | 2/20 | 0.45 |
| ▸ | HTR3D | Q70Z44 | 2/20 | 0.45 |
| ▸ | HTR3C | Q8WXA8 | 2/20 | 0.45 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.45 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.44 |
| ▸ | MMP1 | P03956 | 1/20 | 0.44 |
| ▸ | MMP2 | P08253 | 1/20 | 0.44 |
| ▸ | MMP9 | P14780 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL28808705 | 0.82 | IDO1 (0.51) | IDO1MAOBMAOATAAR1MMP2 | |
| SCHEMBL28808716 | 0.81 | IDO1 (0.46) | IDO1AGXTMAOBMAOANR4A2 | |
| SCHEMBL28808708 | 0.80 | PARP10 (0.45) | IDO1AGXT | |
| SCHEMBL28808837 | 0.76 | IDO1 (0.51) | CYP3A4IDO1NR4A2 | |
| SCHEMBL7659252 | 0.76 | HCAR2 (0.60) | CYP3A4IDO1AGXTRXRARXRB | |
| SCHEMBL28808696 | 0.72 | IDO1 (0.49) | IDO1MAOBMAOANR4A2HTR3E | |
| SCHEMBL27577784 | 0.72 | HCAR2 (0.64) | CYP3A4IDO1AGXTRXRARXRB | |
| SCHEMBL134801 | 0.70 | ALDH1A1 (0.63) | CYP3A4IDO1AGXTRXRARXRB | |
| SCHEMBL25780410 | 0.70 | GABRP (0.54) | — | |
| SCHEMBL1395822 | 0.70 | HTR3E (0.67) | IDO1HTR3EHTR3BHTR3AHTR3D |
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-112079747-B | N-benzyloxy substituted symmetrical oxamide compound and preparation method and application thereof | 浙江工业大学 | 2022-08-16 | — | — | CN | disclosed |