Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.50 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.48 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.48 |
| ▸ | CASP1 | P29466 | 1/20 | 0.48 |
| ▸ | CASP7 | P55210 | 1/20 | 0.48 |
| ▸ | HBB | P68871 | 1/20 | 0.48 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.46 |
| ▸ | MEN1 | O00255 | 2/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.46 |
| ▸ | CYP2A6 | P11509 | 6/20 | 0.44 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | PLAU | P00749 | 1/20 | 0.39 |
| ▸ | TRIM24 | O15164 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | ALDH5A1 | P51649 | 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 | |
|---|---|---|---|---|
| SCHEMBL2346924 | 1.00 | ALDH1A1 (0.50) | ALDH1A1CYP3A4HSD17B10TDP1ALOX15 | |
| SCHEMBL5748061 | 0.96 | ALDH1A1 (0.56) | ALDH1A1CYP3A4HSD17B10TDP1ALOX15 | |
| SCHEMBL5750176 | 0.96 | ALDH1A1 (0.56) | ALDH1A1CYP3A4HSD17B10TDP1ALOX15 | |
| SCHEMBL9099739 | 0.93 | ALDH1A1 (0.48) | ALDH1A1CYP3A4HSD17B10TDP1ALOX15 | |
| SCHEMBL29954379 | 0.93 | ALDH1A1 (0.48) | ALDH1A1CYP3A4HSD17B10TDP1ALOX15 | |
| SCHEMBL977774 | 0.85 | CYP2A6 (0.54) | ALDH1A1HSD17B10TDP1KDM4ECYP2A6 | |
| SCHEMBL19182196 | 0.80 | CYP2A6 (0.50) | ALDH1A1HSD17B10TDP1KDM4ECYP2A6 | |
| SCHEMBL9883838 | 0.80 | CYP2A6 (0.50) | ALDH1A1HSD17B10TDP1KDM4ECYP2A6 | |
| SCHEMBL30972495 | 0.80 | CYP2A6 (0.50) | ALDH1A1HSD17B10TDP1KDM4ECYP2A6 | |
| SCHEMBL29617404 | 0.80 | CYP2A6 (0.50) | ALDH1A1HSD17B10TDP1KDM4ECYP2A6 |
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 |