Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SCD | O00767 | 2/20 | 0.47 |
| ▸ | NPC1 | O15118 | 6/20 | 0.46 |
| ▸ | RAB9A | P51151 | 5/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | PKM | P14618 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | METAP2 | P50579 | 1/20 | 0.42 |
| ▸ | METAP1 | P53582 | 1/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL5311233 | 0.89 | NPC1 (0.51) | SCDNPC1RAB9AADORA2AMEN1 | |
| SCHEMBL5313732 | 0.88 | NPC1 (0.46) | SCDNPC1RAB9AADORA2AMEN1 | |
| SCHEMBL5315546 | 0.87 | SCD (0.51) | SCDNPC1RAB9ACYP3A4ADORA2A | |
| SCHEMBL5310754 | 0.82 | SCD (0.48) | SCDNPC1RAB9ACYP3A4ADORA2A | |
| SCHEMBL5313199 | 0.80 | HPGDS (0.52) | NPC1RAB9AMEN1KMT2ASMN1; SMN2 | |
| SCHEMBL5314293 | 0.78 | ADORA2A (0.47) | NPC1RAB9AADORA2AMEN1KMT2A | |
| Bromide SCHEMBL27908387 | 0.77 | CYP1A2 (0.66) | NPC1RAB9AMEN1KMT2ACYP1A2 | |
| SCHEMBL5314711 | 0.77 | HDAC6 (0.47) | SCD | |
| SCHEMBL5310095 | 0.76 | KCNMA1 (0.48) | NPC1RAB9ACYP3A4ADORA2ACYP2C19 | |
| SCHEMBL5309718 | 0.76 | ADORA2A (0.45) | SCDNPC1RAB9AADORA2AMEN1 |
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-2007044085-A2 | HETEROARYL COMPOUNDS AND THEIR USES AS THERAPEUTIC AGENTS | XENON PHARMACEUTICALS INC. (CA) | 2007-04-19 | — | — | WO | disclosed |