Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.50 |
| ▸ | MAPT | P10636 | 5/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.40 |
| ▸ | TSHR | P16473 | 3/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 2/20 | 0.33 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.33 |
| ▸ | GRM3 | Q14832 | 1/20 | 0.33 |
| ▸ | NOS3 | P29474 | 3/20 | 0.33 |
| ▸ | NOS1 | P29475 | 3/20 | 0.33 |
| ▸ | NOS2 | P35228 | 3/20 | 0.33 |
| ▸ | SLC6A9 | P48067 | 1/20 | 0.32 |
| ▸ | SLC6A5 | Q9Y345 | 1/20 | 0.32 |
| ▸ | FAAH | O00519 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL5308650 | 1.00 | ALDH1A1 (0.50) | ALDH1A1MAPTCYP3A4CYP2C19TSHR | |
| SCHEMBL14625355 | 0.88 | CYP3A4 (0.52) | ALDH1A1MAPTCYP3A4CYP2C19CYP2C9 | |
| SCHEMBL5330894 | 0.86 | ALDH1A1 (0.49) | ALDH1A1MAPTCYP3A4CYP2C19TSHR | |
| SCHEMBL5330899 | 0.86 | ALDH1A1 (0.49) | ALDH1A1MAPTCYP3A4CYP2C19TSHR | |
| SCHEMBL14625714 | 0.84 | MAPT (0.48) | ALDH1A1MAPTCYP3A4CYP2C19TSHR | |
| SCHEMBL5307157 | 0.82 | MAPT (0.49) | ALDH1A1MAPTCYP3A4CYP2C19TSHR | |
| SCHEMBL5307158 | 0.82 | MAPT (0.49) | ALDH1A1MAPTCYP3A4CYP2C19TSHR | |
| SCHEMBL14624818 | 0.81 | ALDH1A1 (0.45) | ALDH1A1MAPTCYP3A4CYP2C19TSHR | |
| SCHEMBL14625121 | 0.79 | ALDH1A1 (0.45) | ALDH1A1MAPTCYP3A4CYP2C19TSHR | |
| SCHEMBL5325384 | 0.79 | POLB (0.39) | ALDH1A1MAPTCYP3A4CYP2C19 |
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-2007011910-A2 | CHIRAL AMINE-CATALYZED ASYMMETRIC ADDITION OF CARBON-CENTERED NUCLEOPHILES TO IMINES | TRUSTEES OF BOSTON UNIVERSITY (US) | 2007-01-25 | — | — | WO | disclosed |