Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.50 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | THRB | P10828 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.40 |
| ▸ | GPR84 | Q9NQS5 | 1/20 | 0.36 |
| ▸ | KCNH3 | Q9ULD8 | 3/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | PRSS1 | P07477 | 4/20 | 0.34 |
| ▸ | F2 | P00734 | 2/20 | 0.34 |
| ▸ | PRSS2 | P07478 | 2/20 | 0.34 |
| ▸ | PRSS3 | P35030 | 2/20 | 0.34 |
| ▸ | TMPRSS6 | Q8IU80 | 2/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL6228884 | 1.00 | ALDH1A1 (0.50) | ALDH1A1HPGDTHRBTSHRTP53 | |
| SCHEMBL4863487 | 0.91 | ALDH1A1 (0.58) | ALDH1A1HPGDTHRBTSHRTP53 | |
| SCHEMBL5604580 | 0.89 | ALDH1A1 (0.59) | ALDH1A1HPGDTHRBTSHRTP53 | |
| SCHEMBL30688924 | 0.86 | THRB (0.47) | ALDH1A1HPGDTHRBTSHRTP53 | |
| SCHEMBL8284428 | 0.84 | HPGD (0.58) | ALDH1A1HPGDTHRBTP53ALOX15 | |
| SCHEMBL4863544 | 0.76 | THRB (0.55) | ALDH1A1HPGDTHRBTP53ALOX15 | |
| SCHEMBL6227992 | 0.75 | ALDH1A1 (0.51) | ALDH1A1HPGDTSHRKCNH3CYP1A2 | |
| SCHEMBL10578809 | 0.75 | MAPT (0.67) | ALDH1A1HPGDTSHRKCNH3CYP1A2 | |
| SCHEMBL6229333 | 0.75 | ALDH1A1 (0.51) | ALDH1A1HPGDTSHRKCNH3CYP1A2 | |
| SCHEMBL5605010 | 0.74 | ADRA2A (0.50) | ALDH1A1THRBGPR84CYP1A2CYP3A4 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1496046-A1 | New coupling components | Henkel Kommanditgesellschaft auf Aktien (DE) | 2005-01-12 | — | — | EP | disclosed |