Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 14/20 | 1.00 |
| ▸ | RAB9A | P51151 | 13/20 | 1.00 |
| ▸ | MAOA | P21397 | 1/20 | 0.74 |
| ▸ | BLVRB | P30043 | 1/20 | 0.74 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.74 |
| ▸ | SMN1; SMN2 | Q16637 | 6/20 | 0.59 |
| ▸ | KMT2A | Q03164 | 6/20 | 0.59 |
| ▸ | MEN1 | O00255 | 5/20 | 0.59 |
| ▸ | NFKB1 | P19838 | 4/20 | 0.59 |
| ▸ | NFKB2 | Q00653 | 4/20 | 0.59 |
| ▸ | RELA | Q04206 | 4/20 | 0.59 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.59 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.59 |
| ▸ | PKM | P14618 | 2/20 | 0.59 |
| ▸ | MAPT | P10636 | 3/20 | 0.57 |
| ▸ | TP53 | P04637 | 2/20 | 0.57 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.53 |
| ▸ | HPGD | P15428 | 4/20 | 0.53 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.53 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.53 |
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 | |
|---|---|---|---|---|
| SCHEMBL59495 | 1.00 | NPC1 (1.00) | NPC1RAB9AMAOABLVRBHDAC6 | |
| SCHEMBL1505301 | 0.91 | NPC1 (0.83) | NPC1RAB9AMAOABLVRBHDAC6 | |
| SCHEMBL31660436 | 0.87 | NPC1 (0.78) | NPC1RAB9AMAOABLVRBHDAC6 | |
| SCHEMBL26092403 | 0.87 | NPC1 (0.78) | NPC1RAB9AMAOABLVRBHDAC6 | |
| SCHEMBL28611033 | 0.87 | NPC1 (0.78) | NPC1RAB9AMAOABLVRBHDAC6 | |
| SCHEMBL12171216 | 0.87 | NPC1 (0.78) | NPC1RAB9AMAOABLVRBHDAC6 | |
| SCHEMBL29607696 | 0.87 | NPC1 (0.77) | NPC1RAB9AMAOABLVRBHDAC6 | |
| SCHEMBL60513 | 0.87 | NPC1 (0.77) | NPC1RAB9AMAOABLVRBHDAC6 | |
| SCHEMBL17946207 | 0.86 | MAOA (0.79) | NPC1RAB9AMAOABLVRBHDAC6 | |
| Ataluren SCHEMBL60614 | 0.85 | MAOA (1.00) | NPC1RAB9AMAOABLVRBHDAC6 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3377476-B1 | HYDROGEN ISOTOPE-ENRICHED ANALOGUES OF 1,2,4-OXADIAZOLE BENZOIC ACID COMPOUNDS, COMPOSITIONS AND USES THEREOF | PTC THERAPEUTICS INC (US) | 2022-10-26 | — | — | EP | disclosed |