Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GPR84 | Q9NQS5 | 7/20 | 0.52 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.52 |
| ▸ | MAPT | P10636 | 1/20 | 0.50 |
| ▸ | LCK | P06239 | 1/20 | 0.50 |
| ▸ | PPARD | Q03181 | 1/20 | 0.50 |
| ▸ | ZDHHC20 | Q5W0Z9 | 1/20 | 0.50 |
| ▸ | ZDHHC2 | Q9UIJ5 | 1/20 | 0.50 |
| ▸ | CA2 | P00918 | 1/20 | 0.48 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.48 |
| ▸ | ACE2 | Q9BYF1 | 1/20 | 0.47 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.44 |
| ▸ | AKR1A1 | P14550 | 1/20 | 0.44 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.44 |
| ▸ | HTR2A | P28223 | 1/20 | 0.44 |
| ▸ | HTR2C | P28335 | 1/20 | 0.44 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.44 |
| ▸ | HRH1 | P35367 | 1/20 | 0.44 |
| ▸ | DRD3 | P35462 | 1/20 | 0.44 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.44 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| Hexane SCHEMBL6815543 | 1.00 | GPR84 (0.52) | GPR84FFAR1MAPTLCKPPARD | |
| Heptane SCHEMBL1077786 | 0.98 | GPR84 (0.55) | GPR84FFAR1MAPTLCKPPARD | |
| SCHEMBL3955547 | 0.88 | GPR84 (0.46) | GPR84FFAR1MAPTLCKPPARD | |
| SCHEMBL28312932 | 0.84 | GPR84 (0.54) | GPR84FFAR1MAPTLCKPPARD | |
| Hexane SCHEMBL2839188 | 0.83 | HSPD1 (0.40) | GPR84FFAR1MAPTLCKPPARD | |
| SCHEMBL28081027 | 0.83 | GPR84 (0.55) | GPR84FFAR1MAPTLCKPPARD | |
| SCHEMBL27878051 | 0.83 | GPR84 (0.57) | GPR84FFAR1MAPTLCKPPARD | |
| SCHEMBL337541 | 0.83 | GPR84 (0.57) | GPR84FFAR1MAPTLCKPPARD | |
| SCHEMBL11390310 | 0.83 | GPR84 (0.57) | GPR84FFAR1MAPTLCKPPARD | |
| SCHEMBL7295527 | 0.83 | GPR84 (0.57) | GPR84FFAR1MAPTLCKPPARD |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0805682-B1 | DERMATOLOGICAL USE OF VITAMIN D DERIVATIVES | BASILEA PHARMACEUTICA AG (CH) | 2004-08-11 | — | — | EP | disclosed |
| US-6153605-A | Arylsecocholadiene derivatives | HOFFMAN-LA ROCHE INC. (US) | 2000-11-28 | — | — | US | disclosed |
| EP-0977734-A2 | ARYLSECOCHOLADIENE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2000-02-09 | — | — | EP | disclosed |
| WO-1998047866-A2 | ARYLSECOCHOLADIENE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 1998-10-29 | — | — | WO | disclosed |
| US-5827883-A | TOPICAL DRUG DELIVERY; SIDE EFFECT REDUCTION | HOFFMANN-LA ROCHE INC. (US) | 1998-10-27 | — | — | US | disclosed |
| EP-0805682-A1 | DERMATOLOGICAL USE OF VITAMIN D DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 1997-11-12 | — | — | EP | disclosed |
| WO-1996022776-A1 | DERMATOLOGICAL USE OF VITAMIN D DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 1996-08-01 | — | — | WO | disclosed |