Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.41 |
| ▸ | RAB9A | P51151 | 7/20 | 0.39 |
| ▸ | NPC1 | O15118 | 5/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.35 |
| ▸ | BACE1 | P56817 | 1/20 | 0.35 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.35 |
| ▸ | CSNK1D | P48730 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | RXFP1 | Q9HBX9 | 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 | |
|---|---|---|---|---|
| SCHEMBL14239923 | 0.88 | CYP3A4 (0.43) | CYP3A4RAB9ANPC1SMN1; SMN2LMNA | |
| SCHEMBL14239808 | 0.88 | RAB9A (0.41) | CYP3A4RAB9ANPC1SMN1; SMN2LMNA | |
| SCHEMBL14239358 | 0.87 | RAB9A (0.44) | CYP3A4RAB9ANPC1SMN1; SMN2LMNA | |
| SCHEMBL14239415 | 0.87 | RAB9A (0.41) | CYP3A4RAB9ANPC1SMN1; SMN2LMNA | |
| SCHEMBL14239056 | 0.87 | RAB9A (0.38) | CYP3A4RAB9ANPC1SMN1; SMN2LMNA | |
| SCHEMBL14239918 | 0.86 | RAB9A (0.40) | CYP3A4RAB9ANPC1SMN1; SMN2CYP1A2 | |
| SCHEMBL14240298 | 0.85 | L3MBTL1 (0.38) | RAB9AALDH1A1L3MBTL1MAPTHTT | |
| SCHEMBL14239050 | 0.84 | RAB9A (0.40) | CYP3A4RAB9ANPC1SMN1; SMN2LMNA | |
| SCHEMBL14239342 | 0.83 | RAB9A (0.45) | CYP3A4RAB9ANPC1SMN1; SMN2LMNA | |
| SCHEMBL6922413 | 0.83 | NPC1 (0.43) | CYP3A4RAB9ANPC1SMN1; SMN2LMNA |
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 |