Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | THRB | P10828 | 2/20 | 0.57 |
| ▸ | LMNA | P02545 | 3/20 | 0.55 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.55 |
| ▸ | THRA | P10827 | 1/20 | 0.55 |
| ▸ | MEN1 | O00255 | 1/20 | 0.55 |
| ▸ | USP2 | O75604 | 1/20 | 0.55 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.55 |
| ▸ | CASP1 | P29466 | 1/20 | 0.55 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.55 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.55 |
| ▸ | SLCO1B3 | Q9NPD5 | 1/20 | 0.55 |
| ▸ | SLCO1B1 | Q9Y6L6 | 1/20 | 0.55 |
| ▸ | TP53 | P04637 | 1/20 | 0.54 |
| ▸ | TSHR | P16473 | 1/20 | 0.54 |
| ▸ | NPC1 | O15118 | 1/20 | 0.54 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.54 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.54 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.54 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.54 |
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 | |
|---|---|---|---|---|
| SCHEMBL10708325 | 0.97 | THRB (0.56) | THRBLMNACYP3A4ALDH1A1THRA | |
| SCHEMBL10706439 | 0.90 | THRB (0.69) | THRBLMNACYP3A4ALDH1A1THRA | |
| SCHEMBL233924 | 0.90 | THRB (0.63) | THRBALDH1A1THRA | |
| SCHEMBL898713 | 0.90 | TP53 (0.64) | LMNACYP3A4SMN1; SMN2TP53TSHR | |
| SCHEMBL10708398 | 0.89 | THRB (0.55) | THRBLMNAALDH1A1THRANPC1 | |
| SCHEMBL17473077 | 0.89 | THRB (0.68) | THRBLMNACYP3A4ALDH1A1THRA | |
| SCHEMBL10706452 | 0.89 | THRB (0.68) | THRBLMNACYP3A4ALDH1A1THRA | |
| SCHEMBL10707176 | 0.89 | THRB (0.68) | THRBLMNACYP3A4ALDH1A1THRA | |
| SCHEMBL17472998 | 0.89 | THRB (0.68) | THRBLMNACYP3A4ALDH1A1THRA | |
| SCHEMBL17473161 | 0.89 | THRB (0.68) | THRBLMNACYP3A4ALDH1A1THRA |
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-0184012-B1 | LIQUID CRYSTAL COMPOSITIONS | BAYER AG (DE) | 1988-01-07 | — | — | EP | disclosed |
| EP-0184012-A1 | Liquid crystal compositions | BAYER AG (DE) | 1986-06-11 | — | — | EP | disclosed |