Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 2/20 | 0.59 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.53 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.51 |
| ▸ | MEN1 | O00255 | 2/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.50 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.50 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.50 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.50 |
| ▸ | MAPT | P10636 | 3/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.49 |
| ▸ | MGLL | Q99685 | 2/20 | 0.49 |
| ▸ | LMNA | P02545 | 1/20 | 0.49 |
| ▸ | HTT | P42858 | 1/20 | 0.49 |
| ▸ | ASAH2 | Q9NR71 | 1/20 | 0.46 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL1991791 | 0.87 | NPC1 (0.57) | NPC1ALDH1A1NPSR1MEN1KMT2A | |
| SCHEMBL1991793 | 0.87 | NPC1 (0.57) | NPC1ALDH1A1NPSR1MEN1KMT2A | |
| SCHEMBL11742685 | 0.85 | NPC1 (0.58) | NPC1ALDH1A1NPSR1MEN1KMT2A | |
| SCHEMBL2292604 | 0.85 | NPC1 (0.66) | NPC1ALDH1A1NPSR1MEN1KMT2A | |
| SCHEMBL2296310 | 0.85 | NPC1 (0.66) | NPC1ALDH1A1NPSR1MEN1KMT2A | |
| SCHEMBL10244237 | 0.85 | NPC1 (0.66) | NPC1ALDH1A1NPSR1MEN1KMT2A | |
| SCHEMBL16796551 | 0.84 | NPC1 (0.60) | NPC1ALDH1A1NPSR1MEN1KMT2A | |
| SCHEMBL1681357 | 0.84 | NPC1 (0.60) | NPC1ALDH1A1NPSR1MEN1KMT2A | |
| SCHEMBL16796557 | 0.84 | NPC1 (0.60) | NPC1ALDH1A1NPSR1MEN1KMT2A | |
| Benzene SCHEMBL27711188 | 0.82 | NPC1 (0.62) | NPC1ALDH1A1NPSR1MEN1KMT2A |
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-113072694-B | Polycarbonate resin for temperature change resistant optical component and preparation method and application thereof | 万华化学集团股份有限公司 | 2022-04-22 | — | — | CN | disclosed |
| US-3832470-A | TREATMENT OF ANGINA PECTORIS WITH A LONG-ACTING VASODILATING AGENT AND A BETA ADRENERGIC RECEPTOR BLOCKING AGENT | RUSSEK H | 1974-08-27 | — | — | US | disclosed |