Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.45 |
| ▸ | RARB | P10826 | 5/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.43 |
| ▸ | LTA4H | P09960 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | NR5A1 | Q13285 | 1/20 | 0.41 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | FAAH | O00519 | 1/20 | 0.40 |
| ▸ | RARA | P10276 | 1/20 | 0.40 |
| ▸ | HTR2A | P28223 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL9349133 | 1.00 | TSHR (0.45) | TSHRRARBCYP3A4CYP2D6LTA4H | |
| SCHEMBL9346468 | 1.00 | TSHR (0.45) | TSHRRARBCYP3A4CYP2D6LTA4H | |
| SCHEMBL9349513 | 0.99 | TSHR (0.46) | TSHRRARBCYP3A4CYP2D6LTA4H | |
| SCHEMBL9344361 | 0.96 | TSHR (0.48) | TSHRCYP2D6LTA4HMEN1LMNA | |
| SCHEMBL9346128 | 0.96 | TSHR (0.48) | TSHRCYP2D6LTA4HMEN1LMNA | |
| SCHEMBL9349504 | 0.95 | TSHR (0.47) | TSHRRARBCYP3A4CYP2D6MEN1 | |
| SCHEMBL9346106 | 0.95 | TSHR (0.49) | TSHRCYP2D6LTA4HMEN1LMNA | |
| SCHEMBL9345999 | 0.93 | RARB (0.49) | TSHRRARBCYP3A4CYP2D6LTA4H | |
| SCHEMBL9348919 | 0.93 | RARB (0.49) | TSHRRARBCYP3A4CYP2D6LTA4H | |
| SCHEMBL9349038 | 0.93 | RARB (0.49) | TSHRRARBCYP3A4CYP2D6LTA4H |
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 2 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 |