Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 2/20 | 0.52 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.48 |
| ▸ | TP53 | P04637 | 1/20 | 0.45 |
| ▸ | AHR | P35869 | 2/20 | 0.44 |
| ▸ | CMA1 | P23946 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | TYMS | P04818 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.41 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | DYRK1A | Q13627 | 2/20 | 0.41 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.41 |
| ▸ | NOS1 | P29475 | 1/20 | 0.41 |
| ▸ | F7 | P08709 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL5411000 | 1.00 | CYP2A6 (0.52) | CYP2A6CHEK1TP53AHRCMA1 | |
| SCHEMBL2406653 | 0.94 | CYP2A6 (0.48) | CYP2A6CHEK1TP53AHRCMA1 | |
| SCHEMBL1758306 | 0.87 | ALDH1A1 (0.64) | CYP2A6AHRLMNAALDH1A1CYP3A4 | |
| SCHEMBL26853391 | 0.87 | CYP2A6 (0.48) | CYP2A6CHEK1TP53AHRCMA1 | |
| SCHEMBL1758210 | 0.84 | DHODH (0.43) | CYP2A6CHEK1LMNAALDH1A1CYP3A4 | |
| SCHEMBL380109 | 0.83 | HPRT1 (0.64) | CYP2A6AHRLMNAALDH1A1CYP3A4 | |
| SCHEMBL23625556 | 0.81 | ENPP2 (0.56) | CYP2A6CHEK1 | |
| Hydrochloric Acid SCHEMBL8104845 | 0.81 | HPRT1 (0.61) | CYP2A6AHRLMNAALDH1A1CYP3A4 | |
| SCHEMBL15857708 | 0.81 | DHODH (0.41) | CYP2A6CHEK1LMNAALDH1A1 | |
| SCHEMBL4298982 | 0.79 | CHUK (0.49) | DYRK1ANR4A2NOS1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-117099507-A | Material for organic electroluminescent device | 默克专利有限公司 | 2023-11-21 | — | — | CN | disclosed |
| CN-117084000-A | Material for organic electroluminescent device | 默克专利有限公司 | 2023-11-17 | — | — | CN | disclosed |
| CN-115280539-A | Material for organic electroluminescent device | 默克专利有限公司 | 2022-11-01 | — | — | CN | disclosed |