Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | GLA | P06280 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | ACHE | P22303 | 1/20 | 0.35 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.33 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.31 |
| ▸ | CASP1 | P29466 | 1/20 | 0.31 |
| ▸ | CASP7 | P55210 | 1/20 | 0.31 |
| ▸ | HBB | P68871 | 1/20 | 0.31 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.31 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.31 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.31 |
| ▸ | ATM | Q13315 | 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 | |
|---|---|---|---|---|
| SCHEMBL24252 | 0.89 | CYP2A6 (0.41) | ALDH1A1GLAMAPTHPGDACHE | |
| SCHEMBL28076506 | 0.87 | ALDH1A1 (0.39) | ALDH1A1GLAMAPTHPGDACHE | |
| SCHEMBL27472111 | 0.82 | ALDH1A1 (0.36) | ALDH1A1GLAMAPTHPGDACHE | |
| SCHEMBL195377 | 0.80 | ALDH1A1 (0.36) | ALDH1A1GLAMAPTHPGDACHE | |
| Naphthalene SCHEMBL28323841 | 0.78 | CA1 (0.41) | ALDH1A1GLAMAPTHPGDACHE | |
| Tannin Pyrogallol SCHEMBL28194208 | 0.78 | ALDH1A1 (0.43) | ALDH1A1MAPTHPGDALOX12MEN1 | |
| SCHEMBL15366850 | 0.78 | ALDH1A1 (0.39) | ALDH1A1GLAMAPTHPGDACHE | |
| SCHEMBL28270665 | 0.76 | ALDH1A1 (0.32) | ALDH1A1GLAMAPTHPGDACHE | |
| SCHEMBL14057855 | 0.76 | ESR1 (0.39) | ALDH1A1GLAMAPTHPGDACHE | |
| SCHEMBL28196500 | 0.76 | ALDH1A1 (0.32) | ALDH1A1GLAMAPTHPGDACHE |
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-107954960-A | A kind of synthetic method of 1,3- dihydroisobenzofurans class compound | 湖南第师范学院 | 2018-04-24 | — | — | CN | claimed |