Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 7/20 | 0.49 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.49 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.36 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | TYR | P14679 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.32 |
| ▸ | CTRC | Q99895 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | HTT | P42858 | 1/20 | 0.31 |
| ▸ | EGFR | P00533 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.30 |
| ▸ | CYP4Z1 | Q86W10 | 1/20 | 0.30 |
| ▸ | CYP4F11 | Q9HBI6 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL9318919 | 0.94 | CYP3A4 (0.46) | CYP3A4TRPA1TDP1MAPK1TSHR | |
| SCHEMBL11732175 | 0.90 | CYP3A4 (0.51) | CYP3A4TRPA1TDP1MAPK1TSHR | |
| SCHEMBL9129475 | 0.87 | CYP3A4 (0.53) | CYP3A4TRPA1TDP1MAPK1TSHR | |
| SCHEMBL109348 | 0.84 | CYP3A4 (0.56) | CYP3A4TRPA1TDP1MAPK1TSHR | |
| SCHEMBL5500495 | 0.84 | CYP3A4 (0.53) | CYP3A4TRPA1TDP1MAPK1TSHR | |
| SCHEMBL9065855 | 0.83 | CYP3A4 (0.51) | CYP3A4TRPA1TDP1MAPK1TSHR | |
| SCHEMBL29913934 | 0.81 | CYP3A4 (0.50) | CYP3A4TRPA1TDP1MAPK1TSHR | |
| SCHEMBL9131575 | 0.81 | CYP3A4 (0.50) | CYP3A4TRPA1TDP1MAPK1TSHR | |
| SCHEMBL9132587 | 0.81 | CYP3A4 (0.50) | CYP3A4TRPA1TDP1MAPK1TSHR | |
| SCHEMBL10966469 | 0.80 | CYP3A4 (0.41) | CYP3A4TRPA1TDP1MAPK1TSHR |
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-114829442-A | Polyurea copolymers | 巴斯夫欧洲公司 | 2022-07-29 | — | — | CN | disclosed |