Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDO1 | P14902 | 2/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | TRPA1 | O75762 | 2/20 | 0.34 |
| ▸ | HCAR1 | Q9BXC0 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
| ▸ | MRGPRX4 | Q96LA9 | 1/20 | 0.31 |
| ▸ | AR | P10275 | 1/20 | 0.31 |
| ▸ | SLC6A2 | P23975 | 4/20 | 0.31 |
| ▸ | SLC6A4 | P31645 | 4/20 | 0.31 |
| ▸ | ATM | Q13315 | 1/20 | 0.31 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.31 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.31 |
| ▸ | HDAC2 | Q92769 | 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 | |
|---|---|---|---|---|
| SCHEMBL424482 | 1.00 | IDO1 (0.39) | IDO1CYP3A4ALDH1A1HPGDTDP1 | |
| SCHEMBL9235250 | 0.83 | CYP3A4 (0.49) | CYP3A4ALDH1A1HPGDTDP1TRPA1 | |
| SCHEMBL28591458 | 0.81 | IDO1 (0.39) | IDO1CYP3A4ALDH1A1HPGDTDP1 | |
| SCHEMBL3104369 | 0.81 | CYP3A4 (0.50) | CYP3A4ALDH1A1HPGDTDP1TRPA1 | |
| SCHEMBL31135862 | 0.81 | CES2 (0.46) | CYP3A4ALDH1A1HPGDTDP1TRPA1 | |
| SCHEMBL10905501 | 0.81 | CES2 (0.46) | CYP3A4ALDH1A1HPGDTDP1TRPA1 | |
| SCHEMBL28113838 | 0.81 | TRPA1 (0.35) | CYP3A4TDP1TRPA1 | |
| SCHEMBL1783029 | 0.80 | CYP3A4 (0.41) | CYP3A4ALDH1A1HPGDTDP1TRPA1 | |
| SCHEMBL162277 | 0.80 | RAB9A (0.40) | CYP3A4ALDH1A1HPGDTDP1TRPA1 | |
| SCHEMBL29648862 | 0.80 | RAB9A (0.40) | CYP3A4ALDH1A1HPGDTDP1TRPA1 |
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-112020525-B | Adducts of amine catalysts for preparing isocyanurate polymers | 科思创知识产权两合公司 | 2023-05-16 | — | — | CN | disclosed |