Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AAK1 | Q2M2I8 | 1/20 | 0.65 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | CTSK | P43235 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.34 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.34 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.34 |
| ▸ | SLC7A5 | Q01650 | 1/20 | 0.34 |
| ▸ | ELANE | P08246 | 1/20 | 0.34 |
| ▸ | USP2 | O75604 | 2/20 | 0.34 |
| ▸ | BTN3A1 | O00481 | 1/20 | 0.34 |
| ▸ | ITGA4 | P13612 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL22754553 | 1.00 | AAK1 (0.65) | AAK1ALDH1A1KMT2ACYP2C19MAPT | |
| SCHEMBL22754552 | 1.00 | AAK1 (0.65) | AAK1ALDH1A1KMT2ACYP2C19MAPT | |
| SCHEMBL10166817 | 0.87 | AAK1 (0.70) | AAK1ALDH1A1KMT2AMAPTHPGD | |
| SCHEMBL894847 | 0.87 | AAK1 (0.70) | AAK1ALDH1A1KMT2AMAPTHPGD | |
| SCHEMBL30949485 | 0.86 | AAK1 (0.64) | AAK1ALDH1A1KMT2ACYP2C19MAPT | |
| SCHEMBL17902787 | 0.86 | AAK1 (0.64) | AAK1ALDH1A1KMT2ACTSKTSHR | |
| SCHEMBL30949482 | 0.86 | AAK1 (0.64) | AAK1ALDH1A1KMT2ACYP2C19MAPT | |
| SCHEMBL12564392 | 0.85 | AAK1 (0.67) | AAK1ALDH1A1KMT2AMAPTHPGD | |
| SCHEMBL31522106 | 0.84 | AAK1 (0.59) | AAK1ALDH1A1KMT2AMAPTHPGD | |
| SCHEMBL13950541 | 0.84 | MEN1 (0.46) | AAK1ALDH1A1KMT2ACYP2C19MAPT |
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-3747886-A1 | DERIVATIVES OF HYDROCINCHONINE, HYDROQUININE AND HYDROQUINIDINE, METHOD FOR THE PREPARATION THEREOF AND USE THEREOF AS CATALYSTS OF PTC PROCESSES | Instytut Chemii Organicznej Polskiej Akademii Nauk (PL) | 2020-12-09 | — | — | EP | disclosed |