Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 2/20 | 0.32 |
| ▸ | MAPT | P10636 | 2/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | RAD52 | P43351 | 1/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | APAF1 | O14727 | 1/20 | 0.31 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.31 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL20567800 | 0.76 | ALDH1A1 (0.33) | ALDH1A1CYP1A1CYP1A2CYP3A4HPGD | |
| SCHEMBL27533775 | 0.76 | ALDH1A1 (0.33) | ALDH1A1CYP1A1CYP1A2CYP3A4HPGD | |
| SCHEMBL9700157 | 0.76 | RAD52 (0.35) | ALDH1A1CYP1A1CYP1A2CYP3A4HPGD | |
| SCHEMBL8984508 | 0.76 | ALDH1A1 (0.33) | ALDH1A1CYP1A1CYP1A2CYP3A4HPGD | |
| SCHEMBL27298252 | 0.76 | ALDH1A1 (0.33) | ALDH1A1CYP1A1CYP1A2CYP3A4HPGD | |
| Hydrochloric Acid SCHEMBL28191822 | 0.74 | ALDH1A1 (0.32) | ALDH1A1CYP1A1CYP1A2CYP3A4HPGD | |
| SCHEMBL28262841 | 0.74 | ALDH1A1 (0.32) | ALDH1A1CYP1A1CYP1A2CYP3A4HPGD | |
| SCHEMBL8736618 | 0.73 | RAD52 (0.33) | ALDH1A1CYP1A1CYP1A2CYP3A4HPGD | |
| SCHEMBL547753 | 0.72 | TXNRD1 (0.30) | ALDH1A1CYP1A1CYP1A2CYP3A4HPGD | |
| SCHEMBL18039128 | 0.72 | ALDH1A1 (0.30) | ALDH1A1CYP1A1CYP1A2CYP3A4HPGD |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114773259-A | Pyridine functionalized water-soluble column [5] arene and preparation method thereof | 青岛科技大学 | 2022-07-22 | — | — | CN | claimed |
| CN-114773259-A | Pyridine functionalized water-soluble column [5] arene and preparation method thereof | 青岛科技大学 | 2022-07-22 | — | — | CN | disclosed |