Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 4/20 | 0.39 |
| ▸ | RAB9A | P51151 | 3/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | IDO1 | P14902 | 1/20 | 0.37 |
| ▸ | TDO2 | P48775 | 1/20 | 0.37 |
| ▸ | LDHA | P00338 | 1/20 | 0.37 |
| ▸ | CHRNA7 | P36544 | 2/20 | 0.37 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.37 |
| ▸ | GSK3A | P49840 | 1/20 | 0.36 |
| ▸ | GSK3B | P49841 | 1/20 | 0.36 |
| ▸ | ASIC3 | Q9UHC3 | 2/20 | 0.36 |
| ▸ | MIF | P14174 | 1/20 | 0.36 |
| ▸ | PDGFRB | P09619 | 1/20 | 0.36 |
| ▸ | KDR | P35968 | 1/20 | 0.36 |
| ▸ | FLT3 | P36888 | 1/20 | 0.36 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.35 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.35 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL15614999 | 0.85 | NPC1 (0.40) | NPC1RAB9AIDO1TDO2LDHA | |
| SCHEMBL16905564 | 0.84 | CNR2 (0.43) | NPC1RAB9ASMN1; SMN2IDO1TDO2 | |
| SCHEMBL21937071 | 0.84 | KDM1A (0.43) | NPC1RAB9ASMN1; SMN2CHRNB2CHRNA4 | |
| SCHEMBL16905496 | 0.83 | HSD17B1 (0.33) | FLT3ALOX5APFEN1 | |
| SCHEMBL16812194 | 0.82 | NPC1 (0.38) | NPC1RAB9ASMN1; SMN2IDO1TDO2 | |
| SCHEMBL16905588 | 0.81 | CNR2 (0.41) | NPC1RAB9ASMN1; SMN2IDO1TDO2 | |
| SCHEMBL18729722 | 0.81 | NPC1 (0.37) | NPC1RAB9ASMN1; SMN2MEN1KMT2A | |
| SCHEMBL16905208 | 0.80 | KDM1A (0.38) | — | |
| SCHEMBL21937077 | 0.80 | FLT3 (0.35) | CHRNA7KDRFLT3CHRNB2CHRNB4 | |
| SCHEMBL16905604 | 0.80 | SMN1; SMN2 (0.58) | NPC1RAB9ASMN1; SMN2PDGFRBKDR |
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-2020064662-A2 | METHOD FOR PRODUCING STERICALLY HINDERED, NITROGEN-CONTAINING HETEROAROMATIC COMPOUNDS | MERCK PATENT GMBH (DE) | 2020-04-02 | — | — | WO | disclosed |