Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | THRB | P10828 | 1/20 | 0.47 |
| ▸ | AOC3 | Q16853 | 6/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.41 |
| ▸ | HTR2A | P28223 | 3/20 | 0.36 |
| ▸ | HRH1 | P35367 | 3/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.36 |
| ▸ | SLC6A2 | P23975 | 3/20 | 0.36 |
| ▸ | SLC6A4 | P31645 | 3/20 | 0.36 |
| ▸ | SLC6A3 | Q01959 | 3/20 | 0.36 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 2/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.34 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.34 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.34 |
| ▸ | ADRA2A | P08913 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL6692689 | 0.84 | ALDH1A1 (0.53) | THRBAOC3ALDH1A1KDM4ECYP3A4 | |
| SCHEMBL12319469 | 0.84 | ALDH1A1 (0.53) | THRBAOC3ALDH1A1KDM4ECYP3A4 | |
| SCHEMBL6695667 | 0.79 | THRB (0.46) | THRBAOC3ALDH1A1KDM4ECYP3A4 | |
| SCHEMBL12426593 | 0.79 | THRB (0.46) | THRBAOC3ALDH1A1KDM4ECYP3A4 | |
| SCHEMBL12386523 | 0.77 | THRB (0.44) | THRBAOC3ALDH1A1KDM4ECYP3A4 | |
| SCHEMBL5474344 | 0.76 | THRB (0.57) | THRBALDH1A1CYP3A4HTR2AHRH1 | |
| SCHEMBL5474351 | 0.76 | THRB (0.57) | THRBALDH1A1CYP3A4HTR2AHRH1 | |
| SCHEMBL5396533 | 0.76 | THRB (0.57) | THRBALDH1A1CYP3A4HTR2AHRH1 | |
| SCHEMBL3842608 | 0.76 | THRB (0.57) | THRBALDH1A1CYP3A4HTR2AHRH1 | |
| SCHEMBL6686136 | 0.75 | HTR2A (0.50) | THRBAOC3ALDH1A1KDM4ECYP3A4 |
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-2004082565-A2 | ASYMMETRIC CYCLIZATION IN THE PRESENCE OF SUBSTITUTED PSEUDOPHEDRINES | H. LUNDBECK A/S (DK) | 2004-09-30 | — | — | WO | disclosed |