Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.49 |
| ▸ | HSD17B2 | P37059 | 9/20 | 0.46 |
| ▸ | HSD17B1 | P14061 | 7/20 | 0.45 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.45 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.45 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.45 |
| ▸ | CYP4B1 | P13584 | 1/20 | 0.45 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.45 |
| ▸ | CYP3A5 | P20815 | 1/20 | 0.45 |
| ▸ | CYP2A7 | P20853 | 1/20 | 0.45 |
| ▸ | CYP3A7 | P24462 | 1/20 | 0.45 |
| ▸ | CYP2F1 | P24903 | 1/20 | 0.45 |
| ▸ | CYP2C18 | P33260 | 1/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.45 |
| ▸ | CYP2J2 | P51589 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL28992960 | 0.84 | APP (0.61) | HSD17B2CYP1A1CYP1A2CYP2E1CYP3A4 | |
| SCHEMBL1181635 | 0.81 | CYP1A1 (0.67) | HDAC6HSD17B2HSD17B1CYP1A1CYP1A2 | |
| SCHEMBL31398833 | 0.77 | HDAC6 (0.56) | HDAC6HSD17B2HSD17B1CNR1LMNA | |
| SCHEMBL25094618 | 0.76 | HDAC6 (0.55) | HDAC6HSD17B2HSD17B1CYP1A1CYP1A2 | |
| SCHEMBL12093643 | 0.76 | HDAC6 (0.55) | HDAC6HSD17B2HSD17B1CYP1A1CYP1A2 | |
| SCHEMBL28201923 | 0.76 | MAOB (0.48) | HDAC6HSD17B2HSD17B1CYP1A1CYP1A2 | |
| SCHEMBL1180781 | 0.76 | APP (0.74) | HDAC6HSD17B2HSD17B1CYP1A1CYP1A2 | |
| SCHEMBL147295 | 0.74 | HDAC6 (0.56) | HDAC6HSD17B2HSD17B1CYP1A1CYP1A2 | |
| SCHEMBL148058 | 0.74 | HSD17B2 (0.43) | HDAC6HSD17B2HSD17B1CYP1A1CYP1A2 | |
| SCHEMBL9430000 | 0.73 | HDAC6 (0.55) | HDAC6HSD17B2HSD17B1CYP1A1CYP1A2 |
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-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 |
| CN-115872985-A | 1,2,3, 4-tetrahydroisoquinoline-thiophene derivative and preparation method thereof | 赣江中药创新中心 | 2023-03-31 | — | — | CN | disclosed |