Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.76 |
| ▸ | POLB | P06746 | 1/20 | 0.76 |
| ▸ | SMN1; SMN2 | Q16637 | 7/20 | 0.61 |
| ▸ | KMT2A | Q03164 | 6/20 | 0.61 |
| ▸ | MEN1 | O00255 | 5/20 | 0.61 |
| ▸ | LMNA | P02545 | 2/20 | 0.61 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.61 |
| ▸ | MAPT | P10636 | 3/20 | 0.59 |
| ▸ | NPC1 | O15118 | 3/20 | 0.59 |
| ▸ | HTT | P42858 | 2/20 | 0.59 |
| ▸ | RAB9A | P51151 | 2/20 | 0.59 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.54 |
| ▸ | ATM | Q13315 | 1/20 | 0.53 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.53 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.53 |
| ▸ | TSHR | P16473 | 5/20 | 0.52 |
| ▸ | CYP2C9 | P11712 | 5/20 | 0.52 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.52 |
| ▸ | HIF1A | Q16665 | 3/20 | 0.52 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL30632968 | 0.98 | ALDH1A1 (0.72) | ALDH1A1POLBSMN1; SMN2KMT2AMEN1 | |
| SCHEMBL26123763 | 0.95 | ALDH1A1 (0.67) | ALDH1A1POLBSMN1; SMN2KMT2AMEN1 | |
| SCHEMBL7361067 | 0.84 | ALDH1A1 (0.53) | ALDH1A1POLBSMN1; SMN2KMT2AMEN1 | |
| SCHEMBL28864238 | 0.83 | ALDH1A1 (0.51) | ALDH1A1POLBSMN1; SMN2KMT2AMEN1 | |
| SCHEMBL11480252 | 0.81 | ALDH1A1 (0.81) | ALDH1A1POLBSMN1; SMN2KMT2AMEN1 | |
| SCHEMBL6882525 | 0.81 | ALDH1A1 (0.81) | ALDH1A1POLBSMN1; SMN2KMT2AMEN1 | |
| SCHEMBL28670891 | 0.81 | ALDH1A1 (0.64) | ALDH1A1POLBSMN1; SMN2KMT2AMEN1 | |
| SCHEMBL27722718 | 0.80 | ALDH1A1 (0.62) | ALDH1A1POLBSMN1; SMN2KMT2AMEN1 | |
| SCHEMBL30480290 | 0.80 | ALDH1A1 (0.47) | ALDH1A1POLBSMN1; SMN2KMT2AMEN1 | |
| SCHEMBL1578826 | 0.79 | ALDH1A1 (0.78) | ALDH1A1POLBSMN1; SMN2KMT2AMEN1 |
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-108602816-A | Compounds for treating cystic fibrosis | 艾伯维公司 | 2018-09-28 | — | — | CN | disclosed |