Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 7/20 | 0.60 |
| ▸ | RAB9A | P51151 | 6/20 | 0.60 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.60 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.60 |
| ▸ | TP53 | P04637 | 3/20 | 0.60 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.60 |
| ▸ | PKM | P14618 | 2/20 | 0.60 |
| ▸ | THRB | P10828 | 1/20 | 0.55 |
| ▸ | KCNK9 | Q9NPC2 | 1/20 | 0.53 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.52 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.52 |
| ▸ | RELA | Q04206 | 1/20 | 0.52 |
| ▸ | NLRP3 | Q96P20 | 1/20 | 0.51 |
| ▸ | MEN1 | O00255 | 3/20 | 0.51 |
| ▸ | LMNA | P02545 | 1/20 | 0.51 |
| ▸ | MAPT | P10636 | 3/20 | 0.50 |
| ▸ | HTT | P42858 | 2/20 | 0.50 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.50 |
| ▸ | GAA | P10253 | 1/20 | 0.50 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL29927010 | 0.90 | NPC1 (0.62) | NPC1RAB9ASMN1; SMN2KMT2ATP53 | |
| SCHEMBL29927442 | 0.82 | NPC1 (0.64) | NPC1RAB9ASMN1; SMN2KMT2ATP53 | |
| SCHEMBL29926842 | 0.81 | NPC1 (0.58) | NPC1RAB9ASMN1; SMN2KMT2AALDH1A1 | |
| SCHEMBL196100 | 0.78 | NPC1 (0.75) | NPC1RAB9ASMN1; SMN2KMT2ATP53 | |
| SCHEMBL4256368 | 0.77 | NPC1 (1.00) | NPC1RAB9ASMN1; SMN2KMT2ATP53 | |
| SCHEMBL29927101 | 0.77 | NPC1 (0.65) | NPC1RAB9ASMN1; SMN2KMT2ATP53 | |
| SCHEMBL10055020 | 0.74 | NPC1 (0.94) | NPC1RAB9ASMN1; SMN2KMT2ATP53 | |
| SCHEMBL5182631 | 0.72 | THRB (0.64) | NPC1RAB9ASMN1; SMN2KMT2ATP53 | |
| SCHEMBL21768134 | 0.72 | THRB (0.61) | NPC1RAB9ASMN1; SMN2KMT2ATP53 | |
| SCHEMBL10069480 | 0.71 | KCNK9 (0.74) | NPC1RAB9ASMN1; SMN2KMT2ATP53 |
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-2022197740-A1 | BIARYL AMIDE AND HETEROARYL AMIDES FOR TREATMENT OF CANDIDA ALBICANS INFECTION | BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) | 2022-09-22 | — | — | WO | disclosed |