Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | CHRM5 | P08912 | 2/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.32 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.32 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.32 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.32 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.30 |
| ▸ | ADH1B | P00325 | 1/20 | 0.30 |
| ▸ | ADH1C | P00326 | 1/20 | 0.30 |
| ▸ | ADH1A | P07327 | 1/20 | 0.30 |
| ▸ | ADH4 | P08319 | 1/20 | 0.30 |
| ▸ | ADH7 | P40394 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL6147682 | 0.76 | NPC1 (0.34) | NPC1RAB9AL3MBTL1CHRM5CYP1A2 | |
| SCHEMBL28870491 | 0.74 | NPC1 (0.37) | NPC1RAB9AL3MBTL1CHRM5CYP1A2 | |
| SCHEMBL237734 | 0.74 | CYP1A2 (0.37) | NPC1RAB9AL3MBTL1CHRM5CYP1A2 | |
| SCHEMBL5796141 | 0.74 | NPC1 (0.37) | NPC1RAB9AL3MBTL1CHRM5CYP1A2 | |
| SCHEMBL8143723 | 0.74 | NPC1 (0.33) | NPC1RAB9AL3MBTL1CHRM5CYP1A2 | |
| SCHEMBL17553227 | 0.74 | NPC1 (0.33) | NPC1RAB9AL3MBTL1CHRM5CYP1A2 | |
| SCHEMBL398409 | 0.72 | — | — | |
| SCHEMBL18430995 | 0.72 | NPC1 (0.33) | NPC1RAB9AL3MBTL1CHRM5CYP1A2 | |
| SCHEMBL5822195 | 0.72 | CYP1A2 (0.41) | NPC1RAB9AL3MBTL1CHRM5CYP1A2 | |
| SCHEMBL7451832 | 0.72 | SIGMAR1 (0.38) | NPC1RAB9AL3MBTL1CHRM5CYP1A2 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3189063-B1 | BASE-CATALYZED SILYLATION OF TERMINIAL ALKYNE C-H BONDS | CALIFORNIA INST OF TECHN (US) | 2019-08-14 | — | — | EP | disclosed |
| US-9828396-B2 | Alkyne compounds for treatment of complement mediated disorders | ACHILLION PHARMACEUTICALS, INC. (US) | 2017-11-28 | — | — | US | disclosed |
| EP-1077927-A1 | NOVEL SUBSTITUTED CYCLIC COMPOUNDS, PREPARATION METHOD AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM | ADIR ET COMPAGNIE (FR) | 2001-02-28 | — | — | EP | disclosed |
| WO-1999058495-A1 | NOVEL SUBSTITUTED CYCLIC COMPOUNDS, PREPARATION METHOD AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM | ADIR ET COMPAGNIE (FR) | 1999-11-18 | — | — | WO | disclosed |