Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 4/20 | 0.39 |
| ▸ | RAB9A | P51151 | 4/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.39 |
| ▸ | NSD2 | O96028 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | USP2 | O75604 | 1/20 | 0.36 |
| ▸ | BCHE | P06276 | 1/20 | 0.36 |
| ▸ | CFTR | P13569 | 1/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.36 |
| ▸ | ACHE | P22303 | 1/20 | 0.36 |
| ▸ | HKDC1 | Q2TB90 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | GOPC | Q9HD26 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | NPY5R | Q15761 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL14238900 | 0.94 | NPC1 (0.42) | NPC1RAB9ATDP1NSD2ALDH1A1 | |
| SCHEMBL14240301 | 0.92 | NPC1 (0.42) | NPC1RAB9ATDP1NSD2ALDH1A1 | |
| SCHEMBL12059756 | 0.86 | NPC1 (0.39) | NPC1RAB9ATDP1NSD2ALDH1A1 | |
| SCHEMBL6922046 | 0.85 | NPC1 (0.42) | NPC1RAB9ATDP1NSD2ALDH1A1 | |
| SCHEMBL6922549 | 0.85 | NPC1 (0.36) | NPC1RAB9ATDP1NSD2ALOX15 | |
| SCHEMBL6922413 | 0.85 | NPC1 (0.43) | NPC1RAB9ATDP1NSD2ALDH1A1 | |
| SCHEMBL6920966 | 0.85 | NPC1 (0.46) | NPC1RAB9ATDP1NSD2ALDH1A1 | |
| SCHEMBL14239133 | 0.84 | NPC1 (0.39) | NPC1RAB9ATDP1NSD2ALDH1A1 | |
| SCHEMBL6921834 | 0.83 | NPC1 (0.42) | NPC1RAB9ATDP1NSD2ALDH1A1 | |
| SCHEMBL14238863 | 0.83 | NPC1 (0.40) | NPC1RAB9ATDP1NSD2ALDH1A1 |
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-2012170845-A2 | METABOTROPIC GLUTAMATE RECEPTOR 5 MODULATORS AND METHODS OF USE THEREOF | HEFFERNAN MICHELE L R (US) | 2012-12-13 | — | — | WO | disclosed |