Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.52 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.52 |
| ▸ | HPGD | P15428 | 1/20 | 0.52 |
| ▸ | CA2 | P00918 | 2/20 | 0.48 |
| ▸ | CA1 | P00915 | 1/20 | 0.48 |
| ▸ | HTR2A | P28223 | 2/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
| ▸ | ESR1 | P03372 | 2/20 | 0.45 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.45 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.45 |
| ▸ | TACR2 | P21452 | 2/20 | 0.45 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.45 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.45 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.45 |
| ▸ | LMNA | P02545 | 1/20 | 0.45 |
| ▸ | SHBG | P04278 | 1/20 | 0.45 |
| ▸ | TP53 | P04637 | 1/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.45 |
| ▸ | HSPD1 | P10809 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL11468439 | 0.92 | HTR2A (0.57) | ALDH1A1HSD17B10HTR2AESR1ADRA2A | |
| SCHEMBL8094364 | 0.86 | TSHR (0.45) | ALDH1A1CA2HTR2AKDM4ETHRB | |
| SCHEMBL22571095 | 0.83 | ALDH1A1 (0.53) | ALDH1A1HSD17B10HPGDCA2CA1 | |
| SCHEMBL2494565 | 0.82 | CA2 (0.52) | ALDH1A1HSD17B10HPGDCA2CA1 | |
| SCHEMBL83869 | 0.81 | CA2 (0.65) | ALDH1A1HSD17B10HPGDCA2CA1 | |
| SCHEMBL9621454 | 0.80 | CA2 (0.50) | ALDH1A1HSD17B10HPGDCA2CA1 | |
| SCHEMBL4055722 | 0.80 | CA2 (0.55) | ALDH1A1HSD17B10HPGDCA2CA1 | |
| SCHEMBL8090819 | 0.80 | UCHL3 (0.56) | ALDH1A1HSD17B10HPGDCA2CA1 | |
| SCHEMBL11432616 | 0.78 | CA2 (0.48) | ALDH1A1HSD17B10HPGDCA2CA1 | |
| SCHEMBL14840425 | 0.78 | HTR2A (0.51) | ALDH1A1HSD17B10HPGDCA2CA1 |
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-1053990-A2 | A method of producing an aromatic ketone and an aromatic ketone composition containing it | TORAY INDUSTRIES, INC. (JP) | 2000-11-22 | — | — | EP | disclosed |