Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | SLC22A2 | O15244 | 1/20 | 0.33 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.33 |
| ▸ | SLC22A3 | O75751 | 1/20 | 0.33 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.33 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.32 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.32 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.32 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | HTT | P42858 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.31 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.31 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.31 |
| ▸ | NOTUM | Q6P988 | 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 | |
|---|---|---|---|---|
| SCHEMBL38202 | 0.97 | ALDH1A1 (0.42) | ALDH1A1SLC22A2SLC22A1SLC22A3SLC6A4 | |
| SCHEMBL41140 | 0.97 | ALDH1A1 (0.42) | ALDH1A1SLC22A2SLC22A1SLC22A3SLC6A4 | |
| SCHEMBL25097 | 0.92 | ALDH1A1 (0.45) | ALDH1A1SLC22A2SLC22A1SLC22A3SLC6A4 | |
| SCHEMBL769634 | 0.92 | ALDH1A1 (0.45) | ALDH1A1SLC22A2SLC22A1SLC22A3SLC6A4 | |
| SCHEMBL769959 | 0.92 | ALDH1A1 (0.45) | ALDH1A1SLC22A2SLC22A1SLC22A3SLC6A4 | |
| SCHEMBL183516 | 0.92 | ALDH1A1 (0.35) | ALDH1A1RAB9AKMT2A | |
| SCHEMBL26516 | 0.86 | ALDH1A1 (0.42) | ALDH1A1CYP2E1CYP2A6CYP2B6MAPK1 | |
| Ethylamine SCHEMBL27831005 | 0.84 | TAAR1 (0.35) | ALDH1A1SLC22A2SLC22A1SLC22A3SLC6A4 | |
| SCHEMBL27605794 | 0.84 | ALDH1A1 (0.40) | ALDH1A1CYP2E1CYP2A6CYP2B6MAPK1 | |
| SCHEMBL2449602 | 0.83 | ALDH1A1 (0.41) | ALDH1A1SLC22A2SLC22A1SLC22A3SLC6A4 |
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-108863694-B | Method for synthesizing 9,9' -spirobifluorene derivative | 新乡市润宇新材料科技有限公司 | 2021-04-16 | — | — | CN | disclosed |