Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMO | O15229 | 2/20 | 0.44 |
| ▸ | IDO1 | P14902 | 1/20 | 0.44 |
| ▸ | HSD17B14 | Q9BPX1 | 3/20 | 0.38 |
| ▸ | NUDT1 | P36639 | 1/20 | 0.38 |
| ▸ | TRPV3 | Q8NET8 | 1/20 | 0.38 |
| ▸ | JAK2 | O60674 | 1/20 | 0.36 |
| ▸ | ROCK2 | O75116 | 3/20 | 0.36 |
| ▸ | ROCK1 | Q13464 | 3/20 | 0.36 |
| ▸ | CASP1 | P29466 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 3/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.36 |
| ▸ | PSMD14 | O00487 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL28046616 | 0.86 | PARP1 (0.47) | HSD17B14ROCK2ROCK1ALDH1A1RAB9A | |
| SCHEMBL28046609 | 0.83 | CASP1 (0.43) | NUDT1ROCK2ROCK1CASP1 | |
| SCHEMBL28046664 | 0.83 | MAP4K4 (0.46) | KMONUDT1CASP1MAPTRAB9A | |
| SCHEMBL28046665 | 0.83 | HPGDS (0.51) | KMOIDO1NUDT1ROCK2ROCK1 | |
| SCHEMBL28046667 | 0.81 | KMO (0.42) | KMONUDT1MEN1KMT2AMAPT | |
| SCHEMBL28046677 | 0.81 | ALPL (0.45) | HSD17B14ROCK2ROCK1MAPTALDH1A1 | |
| SCHEMBL28046611 | 0.79 | MAPT (0.54) | ROCK2ROCK1MEN1KMT2AMAPT | |
| SCHEMBL28046615 | 0.78 | PARP1 (0.49) | NUDT1RAB9A | |
| SCHEMBL28046610 | 0.77 | ROCK2 (0.54) | JAK2ROCK2ROCK1CASP1MEN1 | |
| SCHEMBL28046612 | 0.77 | DHODH (0.46) | KMONUDT1ROCK2ROCK1 |
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-105294688-A | 6-chlorine-N-(substituted benzyl)-1H-pyrrolo[2,3-b]pyridine-2-amide compound and preparation method as well as application thereof | UNIV BEIJING TECHNOLOGY | 2016-02-03 | — | — | CN | disclosed |