Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.50 |
| ▸ | TP53 | P04637 | 1/20 | 0.50 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.50 |
| ▸ | TSHR | P16473 | 1/20 | 0.50 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.50 |
| ▸ | IDO1 | P14902 | 3/20 | 0.43 |
| ▸ | AGXT | P21549 | 2/20 | 0.43 |
| ▸ | APP | P05067 | 3/20 | 0.42 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.41 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.39 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | MAOB | P27338 | 1/20 | 0.38 |
| ▸ | CA1 | P00915 | 1/20 | 0.38 |
| ▸ | CA2 | P00918 | 1/20 | 0.38 |
| ▸ | APLNR | P35414 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL6503347 | 1.00 | ALDH1A1 (0.50) | ALDH1A1CYP3A4TP53ALOX15TSHR | |
| SCHEMBL14368630 | 0.84 | LTA4H (0.45) | ALDH1A1CYP3A4TP53ALOX15TSHR | |
| SCHEMBL13041180 | 0.84 | LTA4H (0.45) | ALDH1A1CYP3A4TP53ALOX15TSHR | |
| SCHEMBL13149244 | 0.84 | ALDH1A1 (0.53) | ALDH1A1CYP3A4TP53ALOX15TSHR | |
| SCHEMBL31388986 | 0.84 | ALDH1A1 (0.53) | ALDH1A1CYP3A4TP53ALOX15TSHR | |
| SCHEMBL19760189 | 0.82 | RCE1 (0.41) | CYP3A4ALOX15TSHRSMN1; SMN2IDO1 | |
| SCHEMBL20743832 | 0.82 | RCE1 (0.41) | CYP3A4ALOX15TSHRSMN1; SMN2IDO1 | |
| SCHEMBL16176950 | 0.82 | RCE1 (0.41) | CYP3A4ALOX15TSHRSMN1; SMN2IDO1 | |
| SCHEMBL14949763 | 0.77 | LTA4H (0.41) | ALDH1A1CYP3A4TP53ALOX15TSHR | |
| SCHEMBL18843316 | 0.77 | CA1 (0.47) | ALDH1A1CYP3A4TP53ALOX15TSHR |
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-2005062811-A2 | CATALYTIC SULFOXIDE-PROMOTED C-H OXIDATION, AND REGIOSELECTIVE PREPARATION OF ALLYLIC CARBOXYLATES | PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) | 2005-07-14 | — | — | WO | disclosed |