Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 2/20 | 0.38 |
| ▸ | MAOB | P27338 | 2/20 | 0.35 |
| ▸ | DGAT1 | O75907 | 3/20 | 0.35 |
| ▸ | DHODH | Q02127 | 1/20 | 0.34 |
| ▸ | F2RL1 | P55085 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 3/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.33 |
| ▸ | BRD4 | O60885 | 1/20 | 0.33 |
| ▸ | MITF | O75030 | 1/20 | 0.33 |
| ▸ | KDM6B | O15054 | 1/20 | 0.32 |
| ▸ | KDM6A | O15550 | 1/20 | 0.32 |
| ▸ | TET3 | O43151 | 1/20 | 0.32 |
| ▸ | KDM4A | O75164 | 1/20 | 0.32 |
| ▸ | KDM4B | O94953 | 1/20 | 0.32 |
| ▸ | KDM5C | P41229 | 1/20 | 0.32 |
| ▸ | KDM4D | Q6B0I6 | 1/20 | 0.32 |
| ▸ | TET2 | Q6N021 | 1/20 | 0.32 |
| ▸ | ALKBH5 | Q6P6C2 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL16517390 | 0.88 | MAP2K1 (0.39) | NPC1MAOBDGAT1MAPTTP53 | |
| SCHEMBL16516469 | 0.79 | CFD (0.40) | NPC1MAPTL3MBTL1ALDH1A1MEN1 | |
| SCHEMBL23163208 | 0.74 | CFD (0.43) | NPC1 | |
| SCHEMBL30092705 | 0.73 | CFD (0.50) | NPC1DGAT1MAPT | |
| SCHEMBL16532464 | 0.72 | CFD (0.41) | NPC1DGAT1MAPTKDM4EL3MBTL1 | |
| SCHEMBL17782696 | 0.72 | DGAT1 (0.43) | NPC1MAOBDGAT1KDM4EALDH1A1 | |
| SCHEMBL10452181 | 0.72 | NPC1 (0.37) | NPC1DHODHALDH1A1P2RX7 | |
| SCHEMBL30142296 | 0.72 | NPC1 (0.47) | NPC1MAPTMEN1USP2HPGD | |
| SCHEMBL30142294 | 0.72 | NPC1 (0.47) | NPC1MAPTMEN1USP2HPGD | |
| SCHEMBL25001937 | 0.71 | CNR1 (0.45) | NPC1MAPTKDM4EALDH1A1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3036230-A1 | ALKYNYL ALCOHOLS AND METHODS OF USE | F. Hoffmann-La Roche AG (CH) | 2016-06-29 | — | — | EP | disclosed |
| WO-2015025025-A1 | ALKYNYL ALCOHOLS AND METHODS OF USE | F. HOFFMANN-LA ROCHE AG (CH) | 2015-02-26 | — | — | WO | disclosed |