Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.44 |
| ▸ | THRA | P10827 | 1/20 | 0.37 |
| ▸ | THRB | P10828 | 1/20 | 0.37 |
| ▸ | CHRNA4 | P43681 | 2/20 | 0.35 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.35 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.35 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.35 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 2/20 | 0.34 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.34 |
| ▸ | ESR1 | P03372 | 3/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.32 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.31 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL28670017 | 0.85 | ALDH1A1 (0.41) | ALDH1A1THRATHRBCHRNA4CHRNB2 | |
| SCHEMBL10430028 | 0.82 | ALDH1A1 (0.38) | ALDH1A1THRATHRBCHRNA4CHRNB2 | |
| SCHEMBL1611980 | 0.81 | THRA (0.53) | ALDH1A1THRATHRBCHRNA4CHRNB2 | |
| SCHEMBL5199670 | 0.81 | ALDH1A1 (0.41) | ALDH1A1THRBCHRNA4CHRNB2CHRNB4 | |
| SCHEMBL15491000 | 0.79 | ALDH1A1 (0.35) | ALDH1A1THRATHRBCHRNA4CHRNB2 | |
| SCHEMBL27623696 | 0.78 | CYP3A4 (0.44) | ALDH1A1THRATHRBESR1CYP3A4 | |
| SCHEMBL10597489 | 0.78 | ALDH1A1 (0.46) | ALDH1A1THRATHRBCHRNA4CHRNB2 | |
| SCHEMBL27520515 | 0.78 | SLC6A2 (0.55) | ALDH1A1THRATHRBCHRNA4CHRNB2 | |
| SCHEMBL21330385 | 0.78 | ALDH1A1 (0.46) | ALDH1A1THRATHRBCHRNA4CHRNB2 | |
| SCHEMBL6289217 | 0.76 | ALDH1A1 (0.44) | ALDH1A1THRATHRBCHRNA4CHRNB2 |
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-1481981-B1 | Styrene hypophosphite adduct, preparation thereof and use | CLARIANT PRODUKTE DEUTSCHLAND (DE) | 2007-08-15 | — | — | EP | disclosed |
| EP-1481981-A2 | Styrene hypophosphite adduct, preparation thereof and use | Clariant GmbH (DE) | 2004-12-01 | — | — | EP | disclosed |