Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | APP | P05067 | 1/20 | 0.45 |
| ▸ | HSD17B2 | P37059 | 6/20 | 0.44 |
| ▸ | HSD17B1 | P14061 | 5/20 | 0.44 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.36 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.36 |
| ▸ | ERN1 | O75460 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | HTR2A | P28223 | 1/20 | 0.33 |
| ▸ | HTR2C | P28335 | 1/20 | 0.33 |
| ▸ | KDM1A | O60341 | 1/20 | 0.33 |
| ▸ | CTSA | P10619 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | ACACA | Q13085 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL28992934 | 0.85 | APP (0.64) | APPHSD17B2HSD17B1CYP1A2CYP2E1 | |
| SCHEMBL10030801 | 0.71 | CYP1A2 (0.40) | APPHSD17B2HSD17B1HSD11B1CYP1A2 | |
| SCHEMBL28992960 | 0.70 | APP (0.61) | APPHSD17B2CYP1A2CYP2E1CYP2D6 | |
| SCHEMBL28992971 | 0.69 | HDAC6 (0.49) | APPHSD17B2HSD17B1CYP1A2CYP2E1 | |
| SCHEMBL28992924 | 0.68 | RAB9A (0.51) | APPHSD17B2HSD17B1HSD11B1CYP1A2 | |
| SCHEMBL5917555 | 0.67 | APP (0.41) | APPHSD17B2HSD17B1HSD11B1CYP1A2 | |
| SCHEMBL630768 | 0.65 | CA1 (0.58) | CYP2A6ERN1ALDH1A1KDM4ETDP1 | |
| SCHEMBL28339390 | 0.64 | APP (0.75) | APPHSD17B2HSD17B1HDAC6ALDH1A1 | |
| SCHEMBL12973253 | 0.64 | APP (1.00) | APPHSD17B2HSD17B1CYP1A2CYP2E1 | |
| SCHEMBL3533385 | 0.63 | HTR2A (0.44) | CYP2C19ALDH1A1HTR2AHTR2CKDM4E |
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-115872985-B | 1,2,3, 4-Tetrahydroisoquinoline-thiophene derivative and preparation method thereof | 赣江中药创新中心 | 2025-01-14 | — | — | CN | disclosed |