Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 2/20 | 0.50 |
| ▸ | RAB9A | P51151 | 2/20 | 0.50 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 3/20 | 0.43 |
| ▸ | HSD17B1 | P14061 | 2/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.40 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.37 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.37 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.37 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.37 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.37 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.36 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL10787825 | 0.95 | CYP2C9 (0.48) | NPC1RAB9ACYP2C9MAPTALDH1A1 | |
| SCHEMBL10787045 | 0.88 | SMN1; SMN2 (0.51) | NPC1RAB9ACYP2C9MAPTSMN1; SMN2 | |
| SCHEMBL10787024 | 0.88 | RAB9A (0.44) | NPC1RAB9ACYP2C9MAPTHSD17B1 | |
| SCHEMBL14336239 | 0.84 | NPC1 (0.53) | NPC1RAB9ACYP2C9MAPTALDH1A1 | |
| SCHEMBL10791878 | 0.84 | SMN1; SMN2 (0.53) | NPC1RAB9ACYP2C9MAPTSMN1; SMN2 | |
| SCHEMBL10787632 | 0.83 | CYP2C9 (0.48) | NPC1RAB9ACYP2C9MAPTSMN1; SMN2 | |
| SCHEMBL10787881 | 0.82 | CYP2C9 (0.46) | NPC1RAB9ACYP2C9MAPTSMN1; SMN2 | |
| SCHEMBL10791308 | 0.82 | HSD17B3 (0.48) | NPC1RAB9ACYP2C9MAPTSMN1; SMN2 | |
| SCHEMBL3222423 | 0.82 | HDAC8 (0.50) | NPC1RAB9ACYP2C9MAPTHSD17B1 | |
| SCHEMBL10787922 | 0.81 | CYP2C9 (0.45) | NPC1RAB9ACYP2C9MAPTALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0155317-B1 | LIQUID CRYSTAL MIXTURES AND NEW ANISOTROPIC COMPOUNDS THEREFOR | MERCK PATENT GmbH (DE) | 1987-07-08 | — | — | EP | disclosed |