Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RAB9A | P51151 | 1/20 | 0.52 |
| ▸ | HRH3 | Q9Y5N1 | 6/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 5/20 | 0.48 |
| ▸ | CRBN | Q96SW2 | 1/20 | 0.46 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.44 |
| ▸ | LMNA | P02545 | 2/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL9344379 | 1.00 | RAB9A (0.52) | RAB9AHRH3CYP2C9CRBNKCNH2 | |
| SCHEMBL9625885 | 0.98 | RAB9A (0.53) | RAB9AHRH3CYP2C9CRBNKCNH2 | |
| SCHEMBL9625887 | 0.98 | RAB9A (0.53) | RAB9AHRH3CYP2C9CRBNKCNH2 | |
| SCHEMBL9346177 | 0.97 | CYP2C9 (0.50) | RAB9AHRH3CYP2C9CRBNKCNH2 | |
| SCHEMBL9345177 | 0.97 | CYP2C9 (0.50) | RAB9AHRH3CYP2C9CRBNKCNH2 | |
| SCHEMBL9346453 | 0.97 | RAB9A (0.50) | RAB9AHRH3CYP2C9CRBNKCNH2 | |
| SCHEMBL9346164 | 0.97 | CYP2C9 (0.50) | RAB9AHRH3CYP2C9CRBNKCNH2 | |
| SCHEMBL9346467 | 0.97 | RAB9A (0.50) | RAB9AHRH3CYP2C9CRBNKCNH2 | |
| SCHEMBL9345185 | 0.97 | CYP2C9 (0.50) | RAB9AHRH3CYP2C9CRBNKCNH2 | |
| SCHEMBL9349468 | 0.97 | RAB9A (0.50) | RAB9AHRH3CYP2C9CRBNKCNH2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0344557-B1 | Liquid crystal components with a trimethylenoxy group | HOFFMANN LA ROCHE (CH) | 1994-08-10 | — | — | EP | disclosed |
| US-5238600-A | IBIMETHYLENOXY CONTAINING LIQUID CRYSTAL COMPOUNDS | HOFFMANN-LA ROCHE INC. (US) | 1993-08-24 | — | — | US | disclosed |
| EP-0344557-A2 | Liquid crystal components with a trimethylenoxy group | F. HOFFMANN-LA ROCHE AG (CH) | 1989-12-06 | — | — | EP | disclosed |