Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 6/20 | 0.74 |
| ▸ | RAB9A | P51151 | 5/20 | 0.74 |
| ▸ | MAPT | P10636 | 3/20 | 0.74 |
| ▸ | TP53 | P04637 | 2/20 | 0.74 |
| ▸ | LMNA | P02545 | 2/20 | 0.74 |
| ▸ | HPGD | P15428 | 1/20 | 0.74 |
| ▸ | TSHR | P16473 | 1/20 | 0.74 |
| ▸ | HTT | P42858 | 1/20 | 0.74 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.74 |
| ▸ | NR1H4 | Q96RI1 | 3/20 | 0.70 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.68 |
| ▸ | NFKB2 | Q00653 | 2/20 | 0.68 |
| ▸ | RELA | Q04206 | 2/20 | 0.68 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.63 |
| ▸ | S1PR1 | P21453 | 4/20 | 0.62 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.61 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.61 |
| ▸ | MAOA | P21397 | 1/20 | 0.60 |
| ▸ | MAOB | P27338 | 1/20 | 0.60 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.60 |
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 | |
|---|---|---|---|---|
| SCHEMBL12083686 | 0.91 | NPC1 (0.63) | NPC1RAB9AMAPTTP53LMNA | |
| SCHEMBL12083632 | 0.90 | NPC1 (0.62) | NPC1RAB9AMAPTTP53LMNA | |
| SCHEMBL12171106 | 0.84 | RAB9A (0.67) | NPC1RAB9AMAPTTP53LMNA | |
| SCHEMBL17640602 | 0.84 | NR1H4 (0.91) | NPC1RAB9AMAPTTP53LMNA | |
| SCHEMBL321073 | 0.84 | NR1H4 (0.91) | NPC1RAB9AMAPTTP53LMNA | |
| SCHEMBL1473020 | 0.84 | NR1H4 (1.00) | NPC1RAB9AMAPTTP53HPGD | |
| SCHEMBL30153328 | 0.82 | NPC1 (0.63) | NPC1RAB9AMAPTTP53LMNA | |
| SCHEMBL60036 | 0.82 | NPC1 (0.63) | NPC1RAB9AMAPTTP53LMNA | |
| SCHEMBL12083622 | 0.82 | NPC1 (0.52) | NPC1RAB9AMAPTTP53LMNA | |
| SCHEMBL4741824 | 0.81 | NPC1 (0.67) | NPC1RAB9AMAPTTP53LMNA |
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-113502491-A | Electrochemical preparation method of Tioxazafen and atrareum intermediate | 湖南大学 | 2021-10-15 | — | — | CN | disclosed |