Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 2/20 | 0.57 |
| ▸ | RAB9A | P51151 | 2/20 | 0.57 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.54 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.48 |
| ▸ | HRH3 | Q9Y5N1 | 6/20 | 0.46 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.46 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.46 |
| ▸ | F10 | P00742 | 1/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.45 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.45 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.45 |
| ▸ | ABL1 | P00519 | 2/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.44 |
| ▸ | HRH1 | P35367 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | MRGPRX4 | Q96LA9 | 1/20 | 0.43 |
| ▸ | FGFR1 | P11362 | 1/20 | 0.43 |
| ▸ | FLT1 | P17948 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL13097312 | 0.88 | NPC1 (0.58) | NPC1RAB9AALOX5LRRK2F10 | |
| SCHEMBL17888549 | 0.88 | RAB9A (0.68) | NPC1RAB9ALRRK2HRH3GRIN1 | |
| SCHEMBL27787056 | 0.79 | ME3 (0.47) | F10MCHR1KMT2A | |
| SCHEMBL25206148 | 0.76 | ABCG2 (0.65) | NPC1RAB9AMEN1KMT2A | |
| SCHEMBL25210567 | 0.76 | ABCG2 (0.65) | NPC1RAB9AMEN1KMT2A | |
| SCHEMBL19263959 | 0.75 | LRRK2 (0.49) | NPC1RAB9ALRRK2MCHR1 | |
| SCHEMBL19864985 | 0.75 | NPC1 (0.58) | NPC1RAB9ALRRK2 | |
| SCHEMBL25169916 | 0.75 | LTA4H (0.54) | NPC1RAB9ALRRK2F10 | |
| Trifluoroacetic Acid SCHEMBL27787272 | 0.74 | CHRM4 (0.50) | RAB9A | |
| SCHEMBL7891590 | 0.74 | PRMT5 (0.55) | NPC1RAB9AHRH3MCHR1 |
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-2012079154-A1 | SELECTIVE ESTROGEN RECEPTOR MODULATORS | DALHOUSIE UNIVERSITY (CA) | 2012-06-21 | — | — | WO | disclosed |