Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
| ▸ | KIF11 | P52732 | 1/20 | 0.38 |
| ▸ | PTPRZ1 | P23471 | 4/20 | 0.38 |
| ▸ | PTPN1 | P18031 | 2/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
| ▸ | KCNK2 | O95069 | 2/20 | 0.31 |
| ▸ | KCNK10 | P57789 | 2/20 | 0.31 |
| ▸ | NPC1 | O15118 | 1/20 | 0.31 |
| ▸ | RAB9A | P51151 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL28919427 | 0.76 | KIF11 (0.43) | KIF11 | |
| SCHEMBL28919424 | 0.72 | MAPK14 (0.48) | NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL8665030 | 0.71 | IKBKB (0.32) | MAPTNPSR1LMNASMN1; SMN2 | |
| SCHEMBL28608366 | 0.71 | IDO1 (0.43) | ALDH1A1KIF11MAPTNPC1RAB9A | |
| SCHEMBL8941845 | 0.69 | ALDH1A1 (0.58) | ALDH1A1KDM4ETDP1KIF11PTPRZ1 | |
| SCHEMBL28606749 | 0.69 | NISCH (0.41) | ALDH1A1KDM4ETDP1MAPTNPSR1 | |
| SCHEMBL28608387 | 0.68 | KIF11 (0.41) | ALDH1A1KDM4ETDP1KIF11LMNA | |
| SCHEMBL27682990 | 0.68 | CYP2A6 (0.42) | ALDH1A1KDM4EMAPTLMNANPC1 | |
| SCHEMBL5620006 | 0.66 | ALDH1A1 (0.54) | ALDH1A1KDM4ETDP1KIF11PTPRZ1 | |
| SCHEMBL10935258 | 0.65 | ALDH1A1 (0.58) | ALDH1A1KDM4ETDP1KIF11PTPRZ1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-113200983-B | Compound with pyrrolopyridine structure, preparation method and medical application | 中国药科大学 | 2023-01-03 | — | — | CN | disclosed |
| CN-113200983-A | Compound with pyrrolopyridine structure, preparation method and medical application | 中国药科大学 | 2021-08-03 | — | — | CN | disclosed |