Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 4/20 | 0.36 |
| ▸ | RAB9A | P51151 | 4/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.35 |
| ▸ | LMNA | P02545 | 3/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.35 |
| ▸ | TGFBR1 | P36897 | 4/20 | 0.35 |
| ▸ | NSD2 | O96028 | 1/20 | 0.35 |
| ▸ | CNR2 | P34972 | 1/20 | 0.34 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.34 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.34 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.34 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.34 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.34 |
| ▸ | HCRTR1 | O43613 | 2/20 | 0.34 |
| ▸ | HCRTR2 | O43614 | 2/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | HRH3 | Q9Y5N1 | 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 | |
|---|---|---|---|---|
| SCHEMBL14239107 | 0.94 | USP30 (0.35) | NPC1RAB9ATDP1ALDH1A1SMN1; SMN2 | |
| SCHEMBL6923220 | 0.88 | MAPT (0.36) | TGFBR1CNR2CHRNB2CHRNB4CHRNA3 | |
| SCHEMBL6920770 | 0.87 | NPC1 (0.44) | NPC1RAB9ATDP1ALDH1A1KDM4E | |
| SCHEMBL6922373 | 0.85 | MAPT (0.37) | NPC1RAB9ATDP1ALDH1A1KDM4E | |
| SCHEMBL14239109 | 0.84 | CNR2 (0.37) | NPC1RAB9ATDP1ALDH1A1KDM4E | |
| SCHEMBL14239115 | 0.83 | METAP2 (0.35) | TGFBR1CNR2CHRNB2CHRNB4CHRNA3 | |
| SCHEMBL12059162 | 0.83 | MEN1 (0.49) | NPC1RAB9ATDP1ALDH1A1KDM4E | |
| SCHEMBL6922971 | 0.82 | MEN1 (0.51) | NPC1RAB9ATDP1ALDH1A1KDM4E | |
| SCHEMBL14239113 | 0.82 | LMNA (0.39) | LMNATGFBR1CNR2MAPTHRH3 | |
| SCHEMBL14238857 | 0.82 | METAP2 (0.34) | NPC1RAB9ATDP1TGFBR1NSD2 |
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 |