Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | FFAR3 | O14843 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 2/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.30 |
| ▸ | ACLY | P53396 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL6598786 | 1.00 | FFAR3 (0.36) | FFAR3TSHRALDH1A1CYP2D6CYP2C19 | |
| SCHEMBL10386150 | 0.81 | FFAR3 (0.33) | FFAR3TSHRALDH1A1CYP2D6CYP2C19 | |
| SCHEMBL18421755 | 0.78 | ALDH1A1 (0.34) | FFAR3TSHRALDH1A1 | |
| SCHEMBL19500678 | 0.78 | FFAR3 (0.31) | FFAR3 | |
| SCHEMBL1022151 | 0.70 | FFAR3 (0.42) | FFAR3TSHRALDH1A1CYP2D6CYP2C19 | |
| Bicarbonate SCHEMBL6986469 | 0.70 | FFAR3 (0.36) | FFAR3ALDH1A1TDP1 | |
| SCHEMBL28122391 | 0.70 | TSHR (0.31) | TSHRALDH1A1CYP2D6CYP2C19HIF1A | |
| SCHEMBL19177004 | 0.69 | — | — | |
| SCHEMBL8931299 | 0.69 | — | — | |
| SCHEMBL2216131 | 0.69 | FFAR3 (0.40) | FFAR3TSHRALDH1A1CYP2D6CYP2C19 |
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-1080082-B1 | INTERMEDIATES FOR THE SYNTHESIS OF EPOTHILONES AND METHODS FOR THEIR PREPARATION | NOVARTIS AG (CH) | 2004-10-06 | — | — | EP | disclosed |
| US-6350878-B1 | BASIFICATION AND IODINATION OF ALDEHYDE | NOVARTIS AG (CH) | 2002-02-26 | — | — | US | disclosed |