Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 1/20 | 0.38 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.37 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.37 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.37 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.37 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.37 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.37 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.37 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.37 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.37 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.37 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 3/20 | 0.37 |
| ▸ | NPC1 | O15118 | 3/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.37 |
| ▸ | APP | P05067 | 3/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL3962610 | 1.00 | CYP2A6 (0.38) | CYP2A6HDAC3HDAC4HDAC1HDAC7 | |
| SCHEMBL1744396 | 0.83 | HSP90AA1 (0.52) | CYP2A6RAB9ANPC1CYP1A2CYP3A4 | |
| SCHEMBL422041 | 0.77 | HDAC3 (0.52) | CYP2A6HDAC3HDAC4HDAC1HDAC7 | |
| SCHEMBL18878582 | 0.77 | CYP2A6 (0.41) | CYP2A6RAB9ANPC1CYP1A2CYP3A4 | |
| SCHEMBL6121215 | 0.76 | CYP2A6 (0.39) | CYP2A6RAB9ANPC1CYP1A2CYP3A4 | |
| SCHEMBL6813386 | 0.75 | APP (0.41) | CYP2A6RAB9ANPC1CYP1A2CYP3A4 | |
| SCHEMBL3478461 | 0.75 | RAB9A (0.40) | CYP2A6HDAC1RAB9ANPC1CYP1A2 | |
| SCHEMBL5646366 | 0.74 | CYP2A6 (0.38) | CYP2A6RAB9ANPC1CYP1A2CYP3A4 | |
| SCHEMBL2093940 | 0.74 | CYP2A6 (0.38) | CYP2A6RAB9ANPC1CYP1A2CYP3A4 | |
| SCHEMBL144486 | 0.74 | ALDH1A1 (0.38) | CYP2A6RAB9ANPC1CYP3A4DYRK1A |
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-112409385-B | Azaaryl compounds and uses thereof | 上海青煜医药科技有限公司 | 2024-08-13 | — | — | CN | disclosed |