Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | NPC1 | O15118 | 1/20 | 0.30 |
| ▸ | RAB9A | P51151 | 1/20 | 0.30 |
| ▸ | ABCC8 | Q09428 | 1/20 | 0.30 |
| ▸ | KCNJ11 | Q14654 | 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 | |
|---|---|---|---|---|
| SCHEMBL10645095 | 0.81 | ALDH1A1 (0.33) | ALDH1A1TDP1NPC1RAB9A | |
| SCHEMBL27638427 | 0.78 | ALDH1A1 (0.32) | ALDH1A1TDP1NPC1RAB9A | |
| SCHEMBL27689212 | 0.76 | — | — | |
| SCHEMBL28749627 | 0.75 | NPC1 (0.31) | ALDH1A1NPC1RAB9A | |
| SCHEMBL7858112 | 0.74 | NPC1 (0.33) | ALDH1A1NPC1RAB9A | |
| SCHEMBL1689735 | 0.73 | NPC1 (0.35) | ALDH1A1TDP1NPC1RAB9A | |
| SCHEMBL5131865 | 0.71 | HDAC1 (0.35) | ALDH1A1NPC1RAB9A | |
| SCHEMBL29196007 | 0.71 | — | — | |
| SCHEMBL27932882 | 0.71 | MAOB (0.36) | ALDH1A1NPC1RAB9A | |
| SCHEMBL28926102 | 0.71 | HDAC4 (0.32) | ALDH1A1TDP1NPC1RAB9A |
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-110049978-A | PIPERAZINE DERIVATIVES AS SELECTIVE HDAC1,2 INHIBITORS | 雷格南希制药有限责任公司 | 2019-07-23 | — | — | CN | disclosed |