Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.46 |
| ▸ | PKM | P14618 | 2/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.41 |
| ▸ | SRD5A2 | P31213 | 2/20 | 0.39 |
| ▸ | TSHR | P16473 | 3/20 | 0.38 |
| ▸ | MEN1 | O00255 | 2/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | BCHE | P06276 | 1/20 | 0.38 |
| ▸ | ACHE | P22303 | 1/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.33 |
| ▸ | PGR | P06401 | 1/20 | 0.33 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.33 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.33 |
| ▸ | HTR1A | P08908 | 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 | |
|---|---|---|---|---|
| SCHEMBL25473397 | 0.81 | PKM (0.42) | ALDH1A1PKMPOLBKDM4EGAA | |
| SCHEMBL18288630 | 0.77 | HCAR2 (0.43) | ALDH1A1LMNAPKMPOLBKDM4E | |
| SCHEMBL21561629 | 0.77 | ALDH1A1 (0.44) | ALDH1A1PKMPOLBKDM4EGAA | |
| SCHEMBL10145197 | 0.76 | ALDH1A1 (0.41) | ALDH1A1LMNAHSD17B10POLBTSHR | |
| SCHEMBL10621262 | 0.75 | ALDH1A1 (0.50) | ALDH1A1LMNAHSD17B10POLBKDM4E | |
| SCHEMBL13451323 | 0.75 | ALDH1A1 (0.43) | ALDH1A1PKMPOLBKDM4EGAA | |
| SCHEMBL13793539 | 0.75 | ALDH1A1 (0.50) | ALDH1A1LMNAHSD17B10GAATSHR | |
| SCHEMBL8786940 | 0.71 | ALDH1A1 (0.52) | ALDH1A1LMNAHSD17B10TSHRMEN1 | |
| SCHEMBL944640 | 0.71 | MEN1 (0.39) | ALDH1A1LMNAHSD17B10PKMPOLB | |
| SCHEMBL11918310 | 0.70 | ALDH1A1 (0.43) | ALDH1A1LMNAHSD17B10PKMGAA |
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-3124482-B1 | QUINOLINE DERIVATIVES AS SMO INHIBITORS | GUANGDONG ZHONGSHENG PHARMACEUTICAL CO LTD (CN) | 2019-09-11 | — | — | EP | disclosed |