Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EDNRA | P25101 | 2/20 | 0.45 |
| ▸ | EDNRB | P24530 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.42 |
| ▸ | MAOA | P21397 | 2/20 | 0.42 |
| ▸ | TP53 | P04637 | 2/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
| ▸ | CA1 | P00915 | 2/20 | 0.39 |
| ▸ | CA2 | P00918 | 2/20 | 0.39 |
| ▸ | CA12 | O43570 | 1/20 | 0.39 |
| ▸ | CA7 | P43166 | 1/20 | 0.39 |
| ▸ | CA9 | Q16790 | 1/20 | 0.39 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.39 |
| ▸ | CES2 | O00748 | 1/20 | 0.38 |
| ▸ | CES1 | P23141 | 1/20 | 0.38 |
| ▸ | KDM1A | O60341 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL24516982 | 0.81 | EDNRA (0.42) | EDNRAEDNRBALDH1A1SMN1; SMN2MAOA | |
| SCHEMBL24516480 | 0.80 | KDM4E (0.46) | ALDH1A1SMN1; SMN2NPC1MAPTHPGD | |
| SCHEMBL24516477 | 0.78 | SLC6A3 (0.40) | ALDH1A1SMN1; SMN2HPGDRAB9AKDM4E | |
| SCHEMBL10745108 | 0.77 | EDNRA (0.39) | EDNRAEDNRBALDH1A1SMN1; SMN2TP53 | |
| SCHEMBL24515872 | 0.77 | EDNRA (0.39) | EDNRAEDNRBALDH1A1SMN1; SMN2TP53 | |
| SCHEMBL10844446 | 0.74 | ALDH1A1 (0.62) | EDNRAEDNRBALDH1A1SMN1; SMN2MAOA | |
| SCHEMBL6758446 | 0.74 | SMN1; SMN2 (0.49) | EDNRAEDNRBALDH1A1SMN1; SMN2MAOA | |
| SCHEMBL24516529 | 0.74 | NOS3 (0.37) | ALDH1A1NPC1RAB9ACA1CA2 | |
| SCHEMBL24516008 | 0.72 | ESR1 (0.43) | CES2CES1KDM4E | |
| SCHEMBL24516512 | 0.72 | ALDH1A1 (0.49) | EDNRAEDNRBALDH1A1SMN1; SMN2MAOA |
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-2022122975-A1 | CYCLOPENTENONES DERIVATIVES AND THEIR USE AS ANTIBIOTICS | CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) | 2022-06-16 | — | — | WO | disclosed |