Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.51 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.51 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.51 |
| ▸ | HDAC4 | P56524 | 2/20 | 0.51 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.51 |
| ▸ | HDAC7 | Q8WUI4 | 2/20 | 0.51 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.51 |
| ▸ | HDAC10 | Q969S8 | 2/20 | 0.51 |
| ▸ | HDAC11 | Q96DB2 | 2/20 | 0.51 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.51 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.51 |
| ▸ | HDAC9 | Q9UKV0 | 2/20 | 0.51 |
| ▸ | HDAC5 | Q9UQL6 | 2/20 | 0.51 |
| ▸ | APP | P05067 | 3/20 | 0.48 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.46 |
| ▸ | PLAU | P00749 | 2/20 | 0.45 |
| ▸ | PLG | P00747 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.45 |
| ▸ | MAOA | P21397 | 1/20 | 0.45 |
| ▸ | MAOB | P27338 | 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 | |
|---|---|---|---|---|
| SCHEMBL15447279 | 0.85 | HDAC8 (0.51) | NPC1HSP90AA1HDAC3HDAC4HDAC1 | |
| SCHEMBL31257977 | 0.85 | HDAC8 (0.51) | NPC1HSP90AA1HDAC3HDAC4HDAC1 | |
| SCHEMBL14207388 | 0.85 | NPC1 (0.67) | NPC1HSP90AA1HDAC3HDAC4HDAC1 | |
| SCHEMBL28470081 | 0.84 | NPC1 (0.54) | NPC1HSP90AA1HDAC3HDAC4HDAC1 | |
| SCHEMBL30218821 | 0.79 | HTR6 (0.55) | HDAC1HDAC2HDAC10HDAC8HDAC6 | |
| SCHEMBL6086304 | 0.79 | HTR6 (0.55) | HDAC1HDAC2HDAC10HDAC8HDAC6 | |
| SCHEMBL7815339 | 0.78 | NPC1 (0.50) | NPC1HSP90AA1HDAC3HDAC4HDAC1 | |
| SCHEMBL14211026 | 0.78 | PLAU (0.56) | HDAC3HDAC4HDAC1HDAC7HDAC2 | |
| SCHEMBL31258068 | 0.78 | NPC1 (0.52) | NPC1HSP90AA1HDAC3HDAC4HDAC1 | |
| SCHEMBL18002299 | 0.78 | HTR6 (0.51) | NPC1HSP90AA1HDAC3HDAC4HDAC1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-108358923-B | Sophoridine pyrrole and indole derivatives, and preparation method and application thereof | 广西大学 | 2020-11-03 | — | — | CN | claimed |
| CN-108358923-A | Sophoridine pyrroles, indole derivatives and the preparation method and application thereof | 广西大学 | 2018-08-03 | — | — | CN | claimed |
| CN-108358923-B | Sophoridine pyrrole and indole derivatives, and preparation method and application thereof | 广西大学 | 2020-11-03 | — | — | CN | disclosed |
| CN-108358923-A | Sophoridine pyrroles, indole derivatives and the preparation method and application thereof | 广西大学 | 2018-08-03 | — | — | CN | disclosed |