Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A3 | Q01959 | 5/20 | 0.40 |
| ▸ | SLC6A2 | P23975 | 5/20 | 0.40 |
| ▸ | SLC6A4 | P31645 | 3/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.35 |
| ▸ | POLB | P06746 | 2/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.35 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | RET | P07949 | 1/20 | 0.35 |
| ▸ | KDR | P35968 | 1/20 | 0.35 |
| ▸ | SRD5A1 | P18405 | 1/20 | 0.33 |
| ▸ | FTO | Q9C0B1 | 1/20 | 0.33 |
| ▸ | MAP1LC3B | Q9GZQ8 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | GLA | P06280 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | CASP1 | P29466 | 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 | |
|---|---|---|---|---|
| SCHEMBL10742430 | 1.00 | SLC6A3 (0.40) | SLC6A3SLC6A2SLC6A4RAB9AALDH1A1 | |
| SCHEMBL10745108 | 0.80 | EDNRA (0.39) | ALDH1A1POLBSMN1; SMN2GAAMAPK1 | |
| SCHEMBL24515872 | 0.80 | EDNRA (0.39) | ALDH1A1POLBSMN1; SMN2GAAMAPK1 | |
| SCHEMBL24516513 | 0.79 | SLC6A3 (0.45) | SLC6A3SLC6A2SLC6A4ALDH1A1HTT | |
| SCHEMBL24515868 | 0.78 | SLC6A3 (0.38) | SLC6A3SLC6A2SLC6A4RAB9AALDH1A1 | |
| SCHEMBL24516488 | 0.78 | EDNRA (0.45) | RAB9AALDH1A1SMN1; SMN2KDM4EHPGD | |
| SCHEMBL24516529 | 0.77 | NOS3 (0.37) | RAB9AALDH1A1 | |
| SCHEMBL24516507 | 0.75 | CYP2C19 (0.37) | SLC6A3SLC6A2SLC6A4ALDH1A1POLB | |
| SCHEMBL24516008 | 0.72 | ESR1 (0.43) | SLC6A3SLC6A2SLC6A4KDM4E | |
| SCHEMBL432173 | 0.71 | ALOX5 (0.33) | — |
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 |