Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 2/20 | 0.56 |
| ▸ | RAB9A | P51151 | 2/20 | 0.56 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.53 |
| ▸ | POLB | P06746 | 2/20 | 0.50 |
| ▸ | THRA | P10827 | 1/20 | 0.50 |
| ▸ | THRB | P10828 | 1/20 | 0.50 |
| ▸ | LMNA | P02545 | 2/20 | 0.48 |
| ▸ | MAPT | P10636 | 1/20 | 0.48 |
| ▸ | HTT | P42858 | 1/20 | 0.48 |
| ▸ | HDAC3 | O15379 | 6/20 | 0.48 |
| ▸ | HDAC1 | Q13547 | 6/20 | 0.48 |
| ▸ | HDAC2 | Q92769 | 6/20 | 0.48 |
| ▸ | HDAC6 | Q9UBN7 | 6/20 | 0.48 |
| ▸ | HDAC4 | P56524 | 5/20 | 0.48 |
| ▸ | HDAC7 | Q8WUI4 | 5/20 | 0.48 |
| ▸ | HDAC10 | Q969S8 | 5/20 | 0.48 |
| ▸ | HDAC11 | Q96DB2 | 5/20 | 0.48 |
| ▸ | HDAC8 | Q9BY41 | 5/20 | 0.48 |
| ▸ | HDAC9 | Q9UKV0 | 5/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL28693969 | 1.00 | NPC1 (0.56) | NPC1RAB9AMAPK1ALDH1A1POLB | |
| SCHEMBL28693966 | 0.99 | ALDH1A1 (0.54) | NPC1RAB9AMAPK1ALDH1A1POLB | |
| SCHEMBL450259 | 0.86 | NPC1 (0.59) | NPC1RAB9AMAPK1ALDH1A1POLB | |
| SCHEMBL2631174 | 0.84 | L3MBTL1 (0.68) | NPC1RAB9AMAPK1ALDH1A1POLB | |
| SCHEMBL28706039 | 0.84 | NPC1 (0.60) | NPC1RAB9AMAPK1ALDH1A1POLB | |
| SCHEMBL28706800 | 0.84 | NPC1 (0.60) | NPC1RAB9AMAPK1ALDH1A1POLB | |
| SCHEMBL1233065 | 0.83 | NPC1 (0.82) | NPC1RAB9AMAPK1ALDH1A1POLB | |
| SCHEMBL4954251 | 0.83 | NPC1 (0.59) | NPC1RAB9AMAPK1ALDH1A1POLB | |
| SCHEMBL1232846 | 0.83 | NPC1 (0.59) | NPC1RAB9AMAPK1ALDH1A1POLB | |
| SCHEMBL12672001 | 0.82 | NAAA (0.67) | NPC1RAB9AMAPK1ALDH1A1LMNA |
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-114075187-B | Carbonyl pyrazole antitumor compound as well as preparation method and application thereof | 山东大学 | 2023-05-12 | — | — | CN | disclosed |
| CN-114075187-A | Carbonyl pyrazole anti-tumor compound and preparation method and application thereof | 山东大学 | 2022-02-22 | — | — | CN | disclosed |