Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.38 |
| ▸ | HPGD | P15428 | 2/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | P2RX7 | Q99572 | 4/20 | 0.37 |
| ▸ | POLB | P06746 | 2/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | ATP4A | P20648 | 4/20 | 0.36 |
| ▸ | ATP4B | P51164 | 4/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 2/20 | 0.35 |
| ▸ | BLM | P54132 | 2/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL11096714 | 0.81 | ALDH1A1 (0.57) | ALDH1A1KDM4EHPGDCYP1A2CYP2C9 | |
| SCHEMBL11094576 | 0.79 | ALDH1A1 (0.40) | ALDH1A1KDM4EHPGDATP4AATP4B | |
| SCHEMBL11166790 | 0.79 | ALDH1A1 (0.49) | ALDH1A1KDM4EHPGDSMN1; SMN2GAA | |
| SCHEMBL11094829 | 0.77 | MAPT (0.40) | ALDH1A1KDM4EHPGDCYP2C9CYP2D6 | |
| SCHEMBL11166001 | 0.74 | ALDH1A1 (0.57) | ALDH1A1KDM4EHPGDCYP1A2CYP2C9 | |
| SCHEMBL11098284 | 0.73 | NR1H2 (0.48) | ALDH1A1KDM4EHPGDCYP1A2CYP2C9 | |
| SCHEMBL5331858 | 0.70 | AR (0.48) | ALDH1A1KDM4EHPGDCYP1A2CYP2C9 | |
| SCHEMBL11093753 | 0.69 | AGTR1 (0.56) | — | |
| SCHEMBL7902270 | 0.69 | AGTR1 (0.43) | KDM4ECYP1A2CYP2C9SMN1; SMN2CYP2C19 | |
| SCHEMBL10854740 | 0.69 | BCL2 (0.39) | ALDH1A1KDM4EHPGDSMN1; SMN2GAA |
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-0028834-B1 | IMIDAZOLE-5-ACETIC ACID DERIVATIVES, THEIR PRODUCTION AND USE | Takeda Chemical Industries, Ltd. (JP) | 1984-01-18 | — | — | EP | disclosed |