Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.56 |
| ▸ | RAB9A | P51151 | 1/20 | 0.56 |
| ▸ | PDE4A | P27815 | 2/20 | 0.48 |
| ▸ | PDE4B | Q07343 | 2/20 | 0.48 |
| ▸ | PDE4C | Q08493 | 2/20 | 0.48 |
| ▸ | PDE4D | Q08499 | 2/20 | 0.48 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.46 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.46 |
| ▸ | USP5 | P45974 | 2/20 | 0.43 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | DGAT1 | O75907 | 3/20 | 0.40 |
| ▸ | USP30 | Q70CQ3 | 1/20 | 0.40 |
| ▸ | ACMSD | Q8TDX5 | 2/20 | 0.39 |
| ▸ | SOAT1 | P35610 | 1/20 | 0.39 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.39 |
| ▸ | DHODH | Q02127 | 1/20 | 0.38 |
| ▸ | FFAR2 | O15552 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL8939445 | 1.00 | NPC1 (0.56) | NPC1RAB9APDE4APDE4BPDE4C | |
| SCHEMBL5024448 | 0.85 | NPC1 (0.51) | NPC1RAB9APDE4APDE4BPDE4C | |
| SCHEMBL2511155 | 0.85 | NPC1 (0.51) | NPC1RAB9APDE4APDE4BPDE4C | |
| SCHEMBL10070105 | 0.84 | USP5 (0.40) | NPC1RAB9APDE4APDE4BPDE4C | |
| Hydrochloric Acid SCHEMBL2493577 | 0.84 | NPC1 (0.50) | NPC1RAB9APDE4APDE4BPDE4C | |
| SCHEMBL808710 | 0.83 | HTR2A (0.46) | USP5HDAC6USP30 | |
| SCHEMBL29389392 | 0.83 | HTR2A (0.46) | USP5HDAC6USP30 | |
| SCHEMBL9485324 | 0.82 | NPC1 (0.50) | NPC1RAB9APDE4APDE4BPDE4C | |
| SCHEMBL9485331 | 0.82 | NPC1 (0.50) | NPC1RAB9APDE4APDE4BPDE4C | |
| Methyl Alcohol SCHEMBL27955336 | 0.81 | HTR2A (0.42) | USP5HDAC6USP30 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5565140-A | STABILITY, SOLUBILITY, HAVING POSITIVE DIELECTRIC ANISOTROPY | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1996-10-15 | — | — | US | disclosed |
| EP-0441951-B1 | HALOGENATED BENZENE DERIVATIVES AND LIQUID CRYSTALLINE MEDIUM | MERCK PATENT GMBH (DE) | 1996-07-10 | — | — | EP | disclosed |
| US-5308541-A | Electrooptic displays; broad nematic range; high clear point; chemical stability | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1994-05-03 | — | — | US | disclosed |
| EP-0441951-A1 | HALOGENATED BENZENE DERIVATIVES AND LIQUID CRYSTALLINE MEDIUM. | MERCK PATENT GMBH (DE) | 1991-08-21 | — | — | EP | disclosed |
| WO-1991003445-A2 | HALOGENATED BENZENE DERIVATIVES AND LIQUID CRYSTALLINE MEDIUM | MERCK Patent Gesellschaft mit beschränkter Haftung (DE) | 1991-03-21 | — | — | WO | disclosed |