Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.43 |
| ▸ | LMNA | P02545 | 2/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | HPGD | P15428 | 2/20 | 0.43 |
| ▸ | XBP1 | P17861 | 1/20 | 0.43 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.43 |
| ▸ | SCN5A | Q14524 | 1/20 | 0.42 |
| ▸ | SCN2A | Q99250 | 1/20 | 0.42 |
| ▸ | SCN10A | Q9Y5Y9 | 1/20 | 0.42 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.38 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.38 |
| ▸ | HSD11B1 | P28845 | 3/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | TMEM97 | Q5BJF2 | 1/20 | 0.37 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.37 |
| ▸ | TP53 | P04637 | 2/20 | 0.37 |
| ▸ | HTT | P42858 | 2/20 | 0.36 |
| ▸ | GAA | P10253 | 2/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL28606349 | 0.85 | KCNH2 (0.44) | LMNAALDH1A1HPGDHSD11B1MEN1 | |
| SCHEMBL28601412 | 0.83 | CA12 (0.39) | ALDH1A1HPGDCHRM2CHRM1MEN1 | |
| SCHEMBL8250269 | 0.80 | SLC18A3 (0.43) | ALDH1A1HPGDHSD11B1 | |
| SCHEMBL28598700 | 0.80 | GLA (0.41) | ALDH1A1MEN1KMT2ATSHRHRH3 | |
| SCHEMBL28602234 | 0.79 | ALDH1A1 (0.46) | SMN1; SMN2LMNAALDH1A1HPGDNPSR1 | |
| SCHEMBL12504926 | 0.78 | GLA (0.39) | — | |
| SCHEMBL28919426 | 0.75 | KDM4E (0.34) | ALDH1A1 | |
| SCHEMBL28918999 | 0.75 | GCGR (0.40) | ALDH1A1SCN5A | |
| SCHEMBL28919027 | 0.75 | ALDH1A1 (0.39) | ALDH1A1HPGDMEN1KMT2AHTT | |
| SCHEMBL7215974 | 0.74 | PTGS2 (0.55) | — |
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-113200983-A | Compound with pyrrolopyridine structure, preparation method and medical application | 中国药科大学 | 2021-08-03 | — | — | CN | disclosed |