Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | THRB | P10828 | 5/20 | 0.49 |
| ▸ | THRA | P10827 | 3/20 | 0.49 |
| ▸ | MEN1 | O00255 | 1/20 | 0.49 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.49 |
| ▸ | LMNA | P02545 | 1/20 | 0.49 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.49 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.49 |
| ▸ | MAPT | P10636 | 1/20 | 0.49 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.49 |
| ▸ | HTR2B | P41595 | 1/20 | 0.49 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.49 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.49 |
| ▸ | CNR1 | P21554 | 2/20 | 0.47 |
| ▸ | CNR2 | P34972 | 2/20 | 0.47 |
| ▸ | PTPN11 | Q06124 | 4/20 | 0.46 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL8752099 | 0.92 | THRA (0.49) | THRBTHRAMEN1NR1I2LMNA | |
| SCHEMBL17090790 | 0.87 | LMNA (0.58) | MEN1NR1I2LMNACHRM2CYP3A4 | |
| SCHEMBL15613422 | 0.85 | THRA (0.46) | THRBTHRACYP3A4HDAC6ALDH1A1 | |
| SCHEMBL28440618 | 0.85 | MEN1 (0.64) | THRBTHRAMEN1NR1I2LMNA | |
| SCHEMBL7697374 | 0.85 | LMNA (0.56) | MEN1NR1I2LMNACHRM2CYP3A4 | |
| SCHEMBL29720413 | 0.85 | MEN1 (0.64) | THRBTHRAMEN1NR1I2LMNA | |
| SCHEMBL27603589 | 0.82 | THRB (0.66) | THRBTHRAMEN1NR1I2LMNA | |
| SCHEMBL8208275 | 0.82 | THRB (0.49) | THRBTHRAMEN1NR1I2LMNA | |
| SCHEMBL9346741 | 0.81 | THRB (0.48) | THRBTHRAMEN1NR1I2LMNA | |
| SCHEMBL9346722 | 0.81 | THRB (0.48) | THRBTHRAMEN1NR1I2LMNA |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2005033248-A1 | DIAMINE COMPOUND HAVING DENDRON SIDE CHAIN AND LIQUID CRYSTAL ALIGNMENT MATERIAL PRODUCED USING THE SAME | CHEIL INDUSTRIES INC. (KR) | 2005-04-14 | — | — | WO | disclosed |