Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AHR | P35869 | 2/20 | 0.38 |
| ▸ | METAP2 | P50579 | 1/20 | 0.36 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.35 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.35 |
| ▸ | APP | P05067 | 2/20 | 0.34 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.33 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.33 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.32 |
| ▸ | PTGES2 | Q9H7Z7 | 1/20 | 0.32 |
| ▸ | GALR1 | P47211 | 1/20 | 0.32 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.32 |
| ▸ | CRHBP | P24387 | 1/20 | 0.31 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.31 |
| ▸ | APEX1 | P27695 | 1/20 | 0.31 |
| ▸ | CNR1 | P21554 | 1/20 | 0.30 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.30 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.30 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.30 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.30 |
| ▸ | MEN1 | O00255 | 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 | |
|---|---|---|---|---|
| SCHEMBL457778 | 0.79 | ESR2 (0.52) | AHRESR2CYP1B1ALOX5CRHBP | |
| SCHEMBL29921215 | 0.79 | ESR2 (0.52) | AHRESR2CYP1B1ALOX5CRHBP | |
| SCHEMBL29652220 | 0.77 | — | — | |
| SCHEMBL14893542 | 0.77 | — | — | |
| SCHEMBL22652789 | 0.76 | HSD17B1 (0.48) | METAP2CHRNB4CHRNA3APPESR2 | |
| SCHEMBL6561405 | 0.76 | METAP2 (0.50) | METAP2CHRNB4CHRNA3APPCYP1B1 | |
| SCHEMBL2162915 | 0.75 | ALDH1A1 (0.54) | METAP2CHRNB4CHRNA3GALR1CYP3A4 | |
| SCHEMBL24730557 | 0.75 | CYP1A2 (0.54) | AHRMETAP2CHRNB4CHRNA3ALOX5 | |
| SCHEMBL30834750 | 0.74 | SMN1; SMN2 (0.37) | AHRMETAP2CHRNB4CHRNA3APP | |
| SCHEMBL16533468 | 0.73 | ADORA2A (0.42) | AHRESR2HSD17B1HSD17B2 |
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-112047930-B | Compound and application thereof, and organic electroluminescent device comprising compound | 北京鼎材科技有限公司 | 2024-03-12 | — | — | CN | disclosed |