Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 5/20 | 0.37 |
| ▸ | ATM | Q13315 | 4/20 | 0.37 |
| ▸ | PLA2G1B | P04054 | 2/20 | 0.37 |
| ▸ | ALOX12 | P18054 | 2/20 | 0.37 |
| ▸ | ATG4B | Q9Y4P1 | 2/20 | 0.37 |
| ▸ | LMNA | P02545 | 2/20 | 0.37 |
| ▸ | GAA | P10253 | 2/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 3/20 | 0.36 |
| ▸ | CNR2 | P34972 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 2/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.34 |
| ▸ | BRPF1 | P55201 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 2/20 | 0.33 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL22747822 | 0.81 | GAA (0.38) | ALDH1A1LMNAGAASMN1; SMN2CNR2 | |
| SCHEMBL22748447 | 0.81 | USP14 (0.39) | ALDH1A1LMNASMN1; SMN2HTTPOLB | |
| SCHEMBL22747864 | 0.80 | CCR2 (0.46) | ALDH1A1ALOX12LMNAPOLBTSHR | |
| SCHEMBL22760495 | 0.80 | FOLH1 (0.37) | ALDH1A1LMNAGAASMN1; SMN2CNR2 | |
| SCHEMBL22748438 | 0.77 | SMN1; SMN2 (0.43) | ALDH1A1GAASMN1; SMN2CNR2TSHR | |
| SCHEMBL22747828 | 0.77 | NOTUM (0.39) | ALDH1A1LMNAGAASMN1; SMN2CNR2 | |
| SCHEMBL22747824 | 0.76 | EDNRA (0.40) | ALDH1A1LMNAGAASMN1; SMN2KDM4E | |
| SCHEMBL22760366 | 0.75 | MAPT (0.37) | ALDH1A1LMNASMN1; SMN2HTTPOLB | |
| SCHEMBL22760335 | 0.74 | MAPK8 (0.41) | — | |
| SCHEMBL22760549 | 0.72 | USP14 (0.36) | ALDH1A1NPSR1ATMPLA2G1BALOX12 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2020244462-A1 | INDOLE DERIVATIVES AND PHARMACEUTICAL USE THEREOF | 中国药科大学 | 2020-12-10 | — | — | WO | disclosed |