Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA3 | P07451 | 1/20 | 0.38 |
| ▸ | CA6 | P23280 | 1/20 | 0.38 |
| ▸ | CA5A | P35218 | 1/20 | 0.38 |
| ▸ | CA9 | Q16790 | 1/20 | 0.38 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.38 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.38 |
| ▸ | CES2 | O00748 | 2/20 | 0.34 |
| ▸ | CES1 | P23141 | 2/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | MMP14 | P50281 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 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 | |
|---|---|---|---|---|
| SCHEMBL20263273 | 1.00 | CA3 (0.38) | CA3CA6CA5ACA9CA14 | |
| SCHEMBL14159424 | 0.83 | ALDH1A1 (0.38) | CA3CA6CA5ACA9CA14 | |
| SCHEMBL29408015 | 0.83 | ALDH1A1 (0.38) | CA3CA6CA5ACA9CA14 | |
| SCHEMBL31408842 | 0.79 | — | — | |
| SCHEMBL22914962 | 0.79 | ESR1 (0.33) | CA3CA6CA5ACA9CA14 | |
| SCHEMBL24169142 | 0.79 | DGAT1 (0.32) | KDM1AKDM1B | |
| SCHEMBL13447958 | 0.79 | — | — | |
| SCHEMBL28455596 | 0.79 | ALDH1A1 (0.45) | ALDH1A1 | |
| SCHEMBL26915320 | 0.76 | PDE2A (0.42) | MEN1KMT2A | |
| SCHEMBL15508955 | 0.75 | PKM (0.32) | — |
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-110300589-B | Bicyclic heteroaryl derivatives as CFTR potentiators | 囊性纤维化基金会 | 2023-03-10 | — | — | CN | disclosed |