Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.52 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.52 |
| ▸ | PKM | P14618 | 1/20 | 0.52 |
| ▸ | RXFP1 | Q9HBX9 | 3/20 | 0.48 |
| ▸ | MAPT | P10636 | 2/20 | 0.48 |
| ▸ | HRH4 | Q9H3N8 | 6/20 | 0.46 |
| ▸ | HRH1 | P35367 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | CASP1 | P29466 | 1/20 | 0.39 |
| ▸ | CASP7 | P55210 | 1/20 | 0.39 |
| ▸ | GFER | P55789 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | HTR3B | O95264 | 1/20 | 0.38 |
| ▸ | HTR3A | P46098 | 1/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CSNK1A1 | P48729 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL24970855 | 0.79 | ALDH1A1 (0.43) | KDM4ENPSR1RXFP1MAPTHRH4 | |
| SCHEMBL29268329 | 0.77 | HRH4 (0.71) | KDM4ENPSR1PKMRXFP1MAPT | |
| SCHEMBL24970949 | 0.75 | TRPV1 (0.40) | HRH4HTR3BHTR3A | |
| SCHEMBL7237642 | 0.73 | KDM4E (0.58) | KDM4ENPSR1PKMRXFP1MAPT | |
| SCHEMBL24951560 | 0.68 | GBA1 (0.53) | — | |
| SCHEMBL31133544 | 0.68 | GBA1 (0.53) | — | |
| SCHEMBL24970904 | 0.67 | MEN1 (0.45) | NPSR1MAPTALDH1A1 | |
| SCHEMBL24970163 | 0.66 | TRPV1 (0.34) | KDM4EMAPTALDH1A1TSHRMAPK1 | |
| SCHEMBL21163168 | 0.66 | GPR119 (0.47) | — | |
| SCHEMBL22936027 | 0.66 | PHGDH (0.40) | KDM4EHRH4ALDH1A1TSHRHSD17B10 |
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-2023002011-A1 | GRAM-NEGATIVE BACTERIA EFFLUX PUMP INHIBITORS | INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) | 2023-01-26 | — | — | WO | disclosed |