Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.40 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.40 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.37 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.37 |
| ▸ | CNR2 | P34972 | 4/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.36 |
| ▸ | LMNA | P02545 | 3/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.36 |
| ▸ | TP53 | P04637 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.35 |
| ▸ | HPGD | P15428 | 2/20 | 0.35 |
| ▸ | GLA | P06280 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | ATM | Q13315 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | PRNP | P04156 | 1/20 | 0.35 |
| ▸ | NCEH1 | Q6PIU2 | 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 | |
|---|---|---|---|---|
| SCHEMBL23271963 | 1.00 | CYP1A2 (0.40) | CYP1A2CYP2A6AKR1C3AKR1C2CNR2 | |
| SCHEMBL23271768 | 0.88 | CYP1A2 (0.42) | CYP1A2CYP2A6AKR1C3AKR1C2CNR2 | |
| SCHEMBL30003118 | 0.87 | TSHR (0.39) | KDM4ELMNAL3MBTL1TP53ALDH1A1 | |
| SCHEMBL20398696 | 0.87 | TSHR (0.39) | KDM4ELMNAL3MBTL1TP53ALDH1A1 | |
| SCHEMBL30002558 | 0.87 | KDM4E (0.42) | CYP1A2KDM4ELMNAL3MBTL1TP53 | |
| SCHEMBL23271668 | 0.87 | KDM4E (0.42) | CYP1A2KDM4ELMNAL3MBTL1TP53 | |
| SCHEMBL23271911 | 0.85 | KDM4E (0.42) | CYP1A2CYP2A6CNR2KDM4ELMNA | |
| SCHEMBL30003221 | 0.83 | CYP2A6 (0.39) | CYP1A2CYP2A6KDM4ELMNAL3MBTL1 | |
| SCHEMBL23271908 | 0.83 | CYP2A6 (0.39) | CYP1A2CYP2A6KDM4ELMNAL3MBTL1 | |
| SCHEMBL31081030 | 0.83 | TDP1 (0.40) | AKR1C3AKR1C2TDP1TSHRPOLB |
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-110891980-B | Radical polymerization control agent and radical polymerization control method | 川崎化成工业株式会社 | 2022-09-30 | — | — | CN | disclosed |