Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.36 |
| ▸ | CTSD | P07339 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 3/20 | 0.35 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.35 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.35 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.35 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.35 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | HTR2B | P41595 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 4/20 | 0.34 |
| ▸ | IDO1 | P14902 | 2/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL8426023 | 1.00 | ALDH1A1 (0.36) | ALDH1A1TDP1HSD17B10CTSDTSHR | |
| SCHEMBL13690242 | 0.78 | KIF11 (0.44) | ALDH1A1HSD17B10TSHRALOX15MAPT | |
| SCHEMBL13690236 | 0.78 | PTGS1 (0.36) | ALDH1A1TDP1HSD17B10TSHRL3MBTL1 | |
| SCHEMBL22700107 | 0.77 | MAPT (0.44) | ALDH1A1TDP1TSHRPTGS1MAPK1 | |
| SCHEMBL21034656 | 0.73 | ALDH1A1 (0.41) | ALDH1A1TDP1HSD17B10CTSDTSHR | |
| SCHEMBL2544869 | 0.72 | ALDH1A1 (0.45) | ALDH1A1TDP1HSD17B10CTSDTSHR | |
| SCHEMBL22700095 | 0.72 | KMT2A (0.51) | ALDH1A1TSHRALOX12MAPK1MAPT | |
| SCHEMBL14812653 | 0.71 | NPSR1 (0.33) | ALDH1A1TDP1HSD17B10CTSDTSHR | |
| SCHEMBL20124844 | 0.69 | ALDH1A1 (0.41) | ALDH1A1TDP1HSD17B10CTSDTSHR | |
| SCHEMBL8278235 | 0.69 | TDP1 (0.43) | ALDH1A1TDP1HSD17B10CTSDTSHR |
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 |
|---|---|---|---|---|---|---|---|
| EP-3535260-A1 | NITROGEN-CONTAINING HETEROCYCLIC COMPOUNDS AS FXR MODULATORS | Hepagene Therapeutics, Inc. (VG) | 2019-09-11 | — | — | EP | disclosed |