Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 3/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.39 |
| ▸ | RECQL | P46063 | 1/20 | 0.39 |
| ▸ | GCK | P35557 | 1/20 | 0.39 |
| ▸ | APP | P05067 | 3/20 | 0.39 |
| ▸ | NPC1 | O15118 | 2/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.38 |
| ▸ | TSHR | P16473 | 3/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 3/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | CCR1 | P32246 | 1/20 | 0.37 |
| ▸ | CCR5 | P51681 | 1/20 | 0.37 |
| ▸ | CCR8 | P51685 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL29469520 | 1.00 | MEN1 (0.41) | MEN1KMT2AALDH1A1RECQLGCK | |
| SCHEMBL27333271 | 0.90 | NPC1 (0.44) | ALDH1A1NPC1CYP2D6CYP2C19L3MBTL1 | |
| SCHEMBL30402955 | 0.88 | ALDH1A1 (0.50) | ALDH1A1RECQLGCKNPC1CYP2D6 | |
| SCHEMBL2416582 | 0.88 | ALDH1A1 (0.50) | ALDH1A1RECQLGCKNPC1CYP2D6 | |
| SCHEMBL10403788 | 0.87 | NPC1 (0.40) | ALDH1A1GCKNPC1CYP2D6CYP2C19 | |
| SCHEMBL22190243 | 0.85 | APP (0.44) | ALDH1A1APPNPC1CYP2D6CYP2C19 | |
| SCHEMBL4190714 | 0.84 | KDM4E (0.50) | MEN1KMT2AALDH1A1NPC1CYP2D6 | |
| SCHEMBL4495520 | 0.82 | ALDH1A1 (0.42) | ALDH1A1RECQLGCKNPC1CYP2D6 | |
| Triethylene Glycol SCHEMBL17421661 | 0.82 | SMN1; SMN2 (0.37) | MEN1KMT2AALDH1A1RECQLGCK | |
| SCHEMBL28074874 | 0.81 | NPC1 (0.42) | ALDH1A1NPC1CYP2D6CYP2C19L3MBTL1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2020140924-A1 | DIHYDRAZONE COMPOUNDS HAVING HIGH AFFINITY TO AΒ PROTEIN AND TAU PROTEIN, DERIVATIVES THEREOF AND USE THEREOF | 原子高科股份有限公司 | 2020-07-09 | — | — | WO | disclosed |