Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.46 |
| ▸ | HPGD | P15428 | 2/20 | 0.46 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.42 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL28969440 | 0.88 | ALDH1A1 (0.43) | ALDH1A1HPGDHDAC4HDAC6TSHR | |
| SCHEMBL17513682 | 0.81 | CYP3A4 (0.58) | ALDH1A1HPGDHDAC4HDAC6TSHR | |
| SCHEMBL28689326 | 0.80 | ALDH1A1 (0.52) | ALDH1A1HPGDTSHRKDM4EHTT | |
| SCHEMBL9568779 | 0.79 | ESR1 (0.48) | ALDH1A1HPGDTSHRCYP3A4L3MBTL1 | |
| SCHEMBL24789585 | 0.77 | ESR1 (0.47) | ALDH1A1TSHRL3MBTL1LMNAMAPK1 | |
| SCHEMBL31571906 | 0.77 | TSHR (0.49) | ALDH1A1HPGDTSHRCYP3A4LMNA | |
| SCHEMBL12907738 | 0.76 | HPGD (0.51) | ALDH1A1HPGDHDAC4HDAC6TSHR | |
| SCHEMBL31384220 | 0.76 | LOXL2 (0.53) | ALDH1A1HDAC6TSHRCYP3A4L3MBTL1 | |
| SCHEMBL30901585 | 0.76 | CYP3A4 (0.67) | ALDH1A1HPGDTSHRKDM4ECYP3A4 | |
| SCHEMBL29220387 | 0.76 | CYP3A4 (0.67) | ALDH1A1HPGDTSHRKDM4ECYP3A4 |
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-115785036-A | Diolefin compound containing furan structure and preparation method thereof | 中国科学技术大学 | 2023-03-14 | — | — | CN | disclosed |