Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSPD1 | P10809 | 1/20 | 0.42 |
| ▸ | BLM | P54132 | 1/20 | 0.42 |
| ▸ | HSPE1 | P61604 | 1/20 | 0.42 |
| ▸ | CA2 | P00918 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | GPR84 | Q9NQS5 | 4/20 | 0.41 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | LCK | P06239 | 1/20 | 0.39 |
| ▸ | PPARD | Q03181 | 1/20 | 0.39 |
| ▸ | ZDHHC20 | Q5W0Z9 | 1/20 | 0.39 |
| ▸ | ZDHHC2 | Q9UIJ5 | 1/20 | 0.39 |
| ▸ | CES2 | O00748 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | RECQL | P46063 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.38 |
| ▸ | ACE2 | Q9BYF1 | 1/20 | 0.37 |
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 SCHEMBL5727025 | 1.00 | HSPD1 (0.42) | HSPD1BLMHSPE1CA2MAPK1 | |
| Heptane SCHEMBL6382814 | 0.98 | HSPD1 (0.45) | HSPD1BLMHSPE1CA2MAPK1 | |
| Hexane SCHEMBL8254898 | 0.87 | CA2 (0.58) | HSPD1BLMHSPE1CA2MAPK1 | |
| Hexane SCHEMBL2960141 | 0.87 | CA2 (0.58) | HSPD1BLMHSPE1CA2MAPK1 | |
| Hexane SCHEMBL2839188 | 0.85 | HSPD1 (0.40) | HSPD1BLMHSPE1CA2MAPK1 | |
| SCHEMBL3262020 | 0.82 | CA2 (0.45) | HSPD1BLMHSPE1CA2MAPK1 | |
| SCHEMBL21902155 | 0.80 | CA2 (0.44) | HSPD1BLMHSPE1CA2MAPK1 | |
| SCHEMBL11611183 | 0.80 | HSPD1 (0.47) | HSPD1BLMHSPE1CA2MAPK1 | |
| SCHEMBL28774032 | 0.80 | CA2 (0.44) | HSPD1BLMHSPE1CA2MAPK1 | |
| SCHEMBL8374061 | 0.79 | HSPD1 (0.42) | HSPD1BLMHSPE1CA2MAPK1 |
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 4 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-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 |