Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | POLB | P06746 | 1/20 | 0.54 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | TP53 | P04637 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | KIF11 | P52732 | 7/20 | 0.40 |
| ▸ | KCNN4 | O15554 | 2/20 | 0.39 |
| ▸ | ESR1 | P03372 | 1/20 | 0.38 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.37 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.37 |
| ▸ | BACE1 | P56817 | 1/20 | 0.35 |
| ▸ | CD44 | P16070 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL22044783 | 1.00 | POLB (0.54) | POLBCYP3A4TDP1ALDH1A1TP53 | |
| SCHEMBL22050401 | 0.90 | POLB (0.45) | POLBCYP3A4TDP1ALDH1A1TP53 | |
| SCHEMBL22050362 | 0.83 | KIF11 (0.48) | POLBALDH1A1KIF11KCNN4ESR1 | |
| SCHEMBL22044364 | 0.80 | ESR1 (0.55) | POLBCYP3A4TDP1ALDH1A1TP53 | |
| SCHEMBL11023725 | 0.80 | POLB (0.52) | POLBCYP3A4TDP1ALDH1A1TP53 | |
| SCHEMBL22050361 | 0.79 | FFAR4 (0.41) | POLBCYP3A4TDP1ALDH1A1TP53 | |
| SCHEMBL22050404 | 0.78 | CYP3A4 (0.46) | CYP3A4TDP1ALDH1A1TP53TSHR | |
| SCHEMBL4601584 | 0.77 | PTGS1 (0.50) | CYP3A4ALDH1A1ESR1ESR2CYP2C9 | |
| SCHEMBL24174896 | 0.76 | GAA (0.42) | TDP1ALDH1A1TSHRKIF11KCNN4 | |
| SCHEMBL11671062 | 0.76 | ESR1 (0.50) | CYP3A4ALDH1A1ESR1ESR2CYP2C9 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-117105990-B | Catalyst for preparing polythiophene and P3HT material by catalysis | 链行走新材料科技(广州)有限公司 | 2024-01-30 | — | — | CN | disclosed |
| CN-117105990-A | Catalyst for preparing polythiophene and P3HT material by catalysis | 链行走新材料科技(广州)有限公司 | 2023-11-24 | — | — | CN | disclosed |