Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.54 |
| ▸ | MAPT | P10636 | 3/20 | 0.54 |
| ▸ | GAA | P10253 | 2/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.48 |
| ▸ | PKM | P14618 | 1/20 | 0.48 |
| ▸ | HPGD | P15428 | 1/20 | 0.48 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.48 |
| ▸ | S1PR3 | Q99500 | 2/20 | 0.46 |
| ▸ | LMNA | P02545 | 3/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.42 |
| ▸ | HTT | P42858 | 2/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | PPARA | Q07869 | 2/20 | 0.41 |
| ▸ | TSHR | P16473 | 2/20 | 0.41 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | HTR2A | P28223 | 1/20 | 0.41 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL29005338 | 0.85 | S1PR3 (0.51) | ALDH1A1MAPTGAAKDM4EPKM | |
| SCHEMBL25015331 | 0.81 | ALDH1A1 (0.60) | ALDH1A1MAPTGAAKDM4EPKM | |
| SCHEMBL25015984 | 0.78 | ALDH1A1 (0.54) | ALDH1A1MAPTGAAKDM4EPKM | |
| SCHEMBL30342159 | 0.78 | MAPT (0.48) | ALDH1A1MAPTGAAKDM4EPKM | |
| SCHEMBL561366 | 0.76 | CYP1A2 (0.55) | ALDH1A1MAPTGAAKDM4EPKM | |
| SCHEMBL21603014 | 0.75 | CYP1A2 (0.49) | ALDH1A1MAPTLMNACYP1A2HTT | |
| SCHEMBL29780735 | 0.74 | ALDH1A1 (0.64) | ALDH1A1MAPTGAAKDM4EPKM | |
| SCHEMBL7964056 | 0.74 | CTSK (0.46) | MAPTCTSSCTSK | |
| SCHEMBL28985217 | 0.73 | CYP1A2 (0.52) | ALDH1A1MAPTGAAKDM4EPKM | |
| SCHEMBL996287 | 0.73 | CTSS (0.58) | ALDH1A1MAPTGAAKDM4ES1PR3 |
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-116134018-A | 2-oxoimidazolidine-4-carboxamide as NAV1.8 inhibitor | 默沙东有限责任公司 | 2023-05-16 | — | — | CN | disclosed |