Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.47 |
| ▸ | USP2 | O75604 | 5/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.47 |
| ▸ | EPHX2 | P34913 | 3/20 | 0.46 |
| ▸ | CACNA1B | Q00975 | 2/20 | 0.46 |
| ▸ | GAA | P10253 | 1/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.46 |
| ▸ | USP9X | Q93008 | 1/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.44 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | ENPP2 | Q13822 | 1/20 | 0.43 |
| ▸ | ATXN2 | Q99700 | 1/20 | 0.43 |
| ▸ | CNR1 | P21554 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL25259825 | 0.88 | ALDH1A1 (0.47) | ALDH1A1EPHX2CACNA1BGAACYP1A2 | |
| SCHEMBL23850257 | 0.84 | TGM2 (0.50) | GAA | |
| Hydrochloric Acid SCHEMBL23850061 | 0.77 | ALDH1A1 (0.47) | ALDH1A1USP2CYP3A4EPHX2GAA | |
| SCHEMBL14934388 | 0.76 | USP2 (0.69) | ALDH1A1USP2CYP3A4EPHX2GAA | |
| SCHEMBL25260648 | 0.75 | ALDH1A1 (0.50) | ALDH1A1EPHX2GAATSHRCNR1 | |
| SCHEMBL25298280 | 0.75 | HSD11B1 (0.49) | ALDH1A1GAA | |
| SCHEMBL25253376 | 0.72 | CACNA1B (0.48) | ALDH1A1USP2CYP3A4EPHX2CACNA1B | |
| SCHEMBL484535 | 0.72 | CYP3A4 (0.55) | ALDH1A1USP2CYP3A4EPHX2HSD17B10 | |
| SCHEMBL25251545 | 0.72 | MEN1 (0.48) | EPHX2ENPP2ATXN2MEN1KMT2A | |
| SCHEMBL18315538 | 0.72 | ENPP2 (0.61) | ALDH1A1USP2CYP3A4GAAUSP9X |
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 |
|---|---|---|---|---|---|---|---|
| EP-3883936-A1 | NEW HETEROCYCLIC COMPOUNDS | F. Hoffmann-La Roche AG (CH) | 2021-09-29 | — | — | EP | disclosed |