Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A1 | P04798 | 5/20 | 0.58 |
| ▸ | CYP1B1 | Q16678 | 5/20 | 0.58 |
| ▸ | PTGS2 | P35354 | 3/20 | 0.58 |
| ▸ | TTR | P02766 | 2/20 | 0.58 |
| ▸ | ALOX5 | P09917 | 2/20 | 0.58 |
| ▸ | BACE1 | P56817 | 1/20 | 0.58 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.56 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.56 |
| ▸ | MEN1 | O00255 | 3/20 | 0.56 |
| ▸ | MAPT | P10636 | 3/20 | 0.56 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.56 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.56 |
| ▸ | HPGD | P15428 | 2/20 | 0.56 |
| ▸ | USP2 | O75604 | 1/20 | 0.56 |
| ▸ | TP53 | P04637 | 1/20 | 0.56 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.56 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.56 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.56 |
| ▸ | ERN1 | O75460 | 2/20 | 0.53 |
| ▸ | ABL1 | P00519 | 3/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL378297 | 1.00 | CYP1A1 (0.58) | CYP1A1CYP1B1PTGS2TTRALOX5 | |
| SCHEMBL228003 | 0.86 | CYP1A1 (0.64) | CYP1A1CYP1B1PTGS2TTRALOX5 | |
| SCHEMBL1663786 | 0.86 | ALDH1A1 (0.58) | CYP1A1CYP1B1PTGS2TTRALOX5 | |
| Water SCHEMBL28227114 | 0.84 | CYP1A1 (0.61) | CYP1A1CYP1B1PTGS2TTRALOX5 | |
| Formic Acid Methyl Ester SCHEMBL28071788 | 0.80 | CYP1A1 (0.56) | CYP1A1CYP1B1PTGS2TTRALOX5 | |
| SCHEMBL19359679 | 0.80 | CYP1A1 (0.77) | CYP1A1CYP1B1PTGS2TTRALOX5 | |
| SCHEMBL11931426 | 0.80 | NPC1 (0.69) | CYP1A1ALDH1A1MAPTSMN1; SMN2NPC1 | |
| SCHEMBL26908513 | 0.79 | BACE1 (0.42) | CYP1A1CYP1B1PTGS2TTRALOX5 | |
| SCHEMBL29951799 | 0.78 | ALDH1A1 (0.50) | CYP1A1CYP1B1PTGS2TTRALOX5 | |
| SCHEMBL9928608 | 0.78 | CYP1A1 (0.58) | CYP1A1CYP1B1PTGS2TTRALOX5 |
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 |
|---|---|---|---|---|---|---|---|
| US-20220340893-A1 | BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES | NUEVOLUTION A/S (DK) | 2022-10-27 | — | — | US | disclosed |