Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.59 |
| ▸ | HTT | P42858 | 2/20 | 0.59 |
| ▸ | TSHR | P16473 | 1/20 | 0.59 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.57 |
| ▸ | POLB | P06746 | 1/20 | 0.57 |
| ▸ | MAPT | P10636 | 3/20 | 0.56 |
| ▸ | GAA | P10253 | 1/20 | 0.56 |
| ▸ | CASP1 | P29466 | 1/20 | 0.56 |
| ▸ | CASP7 | P55210 | 1/20 | 0.56 |
| ▸ | PABPC1 | P11940 | 1/20 | 0.53 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.53 |
| ▸ | HTR6 | P50406 | 3/20 | 0.52 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.51 |
| ▸ | HDAC4 | P56524 | 2/20 | 0.51 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.51 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.51 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.51 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.49 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.48 |
| ▸ | GFER | P55789 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL27817269 | 0.87 | ALDH1A1 (0.60) | ALDH1A1HTTTSHRKDM4EPOLB | |
| SCHEMBL28100768 | 0.82 | HSD17B10 (0.64) | ALDH1A1KDM4EMAPTGAAHTR6 | |
| SCHEMBL5207930 | 0.82 | EGFR (0.66) | ALDH1A1HTTTSHRKDM4EPOLB | |
| SCHEMBL28649794 | 0.81 | HTR6 (0.56) | ALDH1A1POLBHTR6CYP3A4TDP1 | |
| SCHEMBL28662910 | 0.81 | ALDH1A1 (0.48) | ALDH1A1KDM4EPOLBMAPTGAA | |
| SCHEMBL28687424 | 0.81 | KDM4E (0.67) | ALDH1A1HTTTSHRKDM4EPOLB | |
| SCHEMBL3382621 | 0.77 | ALDH1A1 (0.73) | ALDH1A1HTTTSHRKDM4EPOLB | |
| SCHEMBL30254999 | 0.77 | ALDH1A1 (0.73) | ALDH1A1HTTTSHRKDM4EPOLB | |
| SCHEMBL20037062 | 0.77 | ALDH1A1 (0.59) | ALDH1A1HTTTSHRKDM4EPOLB | |
| Oxalic Acid SCHEMBL27171318 | 0.77 | MAPT (0.63) | ALDH1A1HTTTSHRKDM4EPOLB |
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-113660932-A | Phenyl derivatives with pendant alkyl and alkenyl extensions and pharmaceutical compositions comprising the same | 景凯生物科技股份有限公司 | 2021-11-16 | — | — | CN | disclosed |