Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | KDM1A | O60341 | 3/20 | 0.37 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.37 |
| ▸ | KDM1B | Q8NB78 | 1/20 | 0.37 |
| ▸ | NFE2L2 | Q16236 | 3/20 | 0.35 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.34 |
| ▸ | VCP | P55072 | 1/20 | 0.34 |
| ▸ | MGAM | O43451 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | SI | P14410 | 1/20 | 0.34 |
| ▸ | MGAM2 | Q2M2H8 | 1/20 | 0.34 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.33 |
| ▸ | RCOR1 | Q9UKL0 | 1/20 | 0.33 |
| ▸ | KIF11 | P52732 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | PKM | P14618 | 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 | |
|---|---|---|---|---|
| SCHEMBL1506429 | 1.00 | ALDH1A1 (0.43) | ALDH1A1TDP1TP53TSHRKDM1A | |
| SCHEMBL5674421 | 0.82 | VCP (0.50) | ALDH1A1TDP1TP53TSHRNFE2L2 | |
| SCHEMBL31335437 | 0.79 | NFE2L2 (0.39) | KDM1AKCNH2KDM1BNFE2L2VCP | |
| SCHEMBL29662132 | 0.78 | NFE2L2 (0.50) | ALDH1A1TDP1TP53TSHRNFE2L2 | |
| SCHEMBL2788648 | 0.78 | ALDH1A1 (0.50) | ALDH1A1TDP1TP53TSHRTRPA1 | |
| SCHEMBL248639 | 0.78 | NFE2L2 (0.50) | ALDH1A1TDP1TP53TSHRNFE2L2 | |
| SCHEMBL361060 | 0.77 | ALDH1A1 (0.50) | ALDH1A1TDP1TSHRKDM1AKCNH2 | |
| SCHEMBL16960237 | 0.77 | KDM1A (0.37) | KDM1AKCNH2KDM1BNFE2L2TRPA1 | |
| SCHEMBL28239186 | 0.77 | KDM1A (0.37) | ALDH1A1KDM1AKCNH2KDM1BNFE2L2 | |
| SCHEMBL11725687 | 0.74 | ALDH1A1 (0.46) | ALDH1A1TDP1TP53TSHRKCNH2 |
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-114555597-A | Isocitrate Dehydrogenase (IDH) inhibitors | 浙江迈同生物医药有限公司 | 2022-05-27 | — | — | CN | disclosed |