Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1L1 | Q9UHC9 | 4/20 | 0.41 |
| ▸ | USP2 | O75604 | 2/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | GPBAR1 | Q8TDU6 | 8/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.38 |
| ▸ | VDR | P11473 | 1/20 | 0.38 |
| ▸ | POLA1 | P09884 | 1/20 | 0.38 |
| ▸ | TOP2A | P11388 | 1/20 | 0.38 |
| ▸ | TOP2B | Q02880 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | INPP5D | Q92835 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | THRB | P10828 | 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 | |
|---|---|---|---|---|
| SCHEMBL22646210 | 1.00 | NPC1L1 (0.41) | NPC1L1USP2MEN1LMNATP53 | |
| SCHEMBL10425066 | 0.90 | NPC1L1 (0.42) | NPC1L1USP2MEN1LMNATP53 | |
| SCHEMBL10425065 | 0.90 | NPC1L1 (0.42) | NPC1L1USP2MEN1LMNATP53 | |
| SCHEMBL9172940 | 0.89 | NPC1L1 (0.43) | NPC1L1USP2MEN1LMNATP53 | |
| SCHEMBL11425803 | 0.89 | NPC1L1 (0.41) | NPC1L1USP2MEN1LMNATP53 | |
| SCHEMBL26666158 | 0.89 | NPC1L1 (0.43) | NPC1L1USP2MEN1LMNATP53 | |
| SCHEMBL10445240 | 0.89 | NPC1L1 (0.43) | NPC1L1USP2MEN1LMNATP53 | |
| SCHEMBL22646212 | 0.89 | NPC1L1 (0.43) | NPC1L1USP2MEN1LMNATP53 | |
| SCHEMBL11431276 | 0.89 | NPC1L1 (0.43) | NPC1L1USP2MEN1LMNATP53 | |
| SCHEMBL26665949 | 0.89 | NPC1L1 (0.41) | NPC1L1USP2MEN1LMNATP53 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4691032-A | DIMETHYL- AND TETRAMETHYL-1,3-DIOXOLANE-4-CARBOXALDEHYDES | HOFFMANN-LA ROCHE INC. (US) | 1987-09-01 | — | — | US | disclosed |
| US-4568491-A | FOR VITAMIN D3 SYNTHESIS | HOFFMANN-LA ROCHE INC. (US) | 1986-02-04 | — | — | US | disclosed |
| US-4268453-A | Process for the manufacture of cholestene derivatives and novel intermediates in their manufacture | HOFFMANN-LA ROCHE INC. (US) | 1981-05-19 | — | — | US | disclosed |