Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.48 |
| ▸ | LTA4H | P09960 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | NR5A1 | Q13285 | 1/20 | 0.44 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.43 |
| ▸ | FAAH | O00519 | 2/20 | 0.43 |
| ▸ | HTR2A | P28223 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.41 |
| ▸ | TP53 | P04637 | 2/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | USP2 | O75604 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL9346128 | 1.00 | TSHR (0.48) | TSHRLTA4HMEN1LMNAHTT | |
| SCHEMBL9346106 | 0.99 | TSHR (0.49) | TSHRLTA4HMEN1LMNAHTT | |
| SCHEMBL9346468 | 0.96 | TSHR (0.45) | TSHRLTA4HMEN1LMNAHTT | |
| SCHEMBL9349133 | 0.96 | TSHR (0.45) | TSHRLTA4HMEN1LMNAHTT | |
| SCHEMBL9345828 | 0.96 | TSHR (0.45) | TSHRLTA4HMEN1LMNAHTT | |
| SCHEMBL9349513 | 0.94 | TSHR (0.46) | TSHRLTA4HHRH3FAAHHTR2A | |
| SCHEMBL9348853 | 0.94 | TSHR (0.50) | TSHRMEN1LMNAHTTKMT2A | |
| SCHEMBL9345434 | 0.93 | LTA4H (0.50) | TSHRLTA4HNR5A1CYP1A2CYP2D6 | |
| SCHEMBL9345920 | 0.93 | LTA4H (0.50) | TSHRLTA4HNR5A1CYP1A2CYP2D6 | |
| SCHEMBL9344982 | 0.93 | LTA4H (0.50) | TSHRLTA4HNR5A1CYP1A2CYP2D6 |
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 |