Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.62 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.62 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.62 |
| ▸ | HPGD | P15428 | 4/20 | 0.62 |
| ▸ | TP53 | P04637 | 3/20 | 0.62 |
| ▸ | MEN1 | O00255 | 3/20 | 0.62 |
| ▸ | TSHR | P16473 | 3/20 | 0.62 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.62 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.62 |
| ▸ | GAA | P10253 | 3/20 | 0.62 |
| ▸ | MAPT | P10636 | 3/20 | 0.62 |
| ▸ | CASP1 | P29466 | 1/20 | 0.62 |
| ▸ | CASP7 | P55210 | 1/20 | 0.62 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.62 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.62 |
| ▸ | DHODH | Q02127 | 1/20 | 0.51 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.50 |
| ▸ | EDNRA | P25101 | 4/20 | 0.49 |
| ▸ | POLB | P06746 | 2/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL8575921 | 0.84 | MEN1 (0.58) | ALDH1A1HSD17B10KDM4EHPGDTP53 | |
| SCHEMBL8577086 | 0.84 | TP53 (0.58) | ALDH1A1HSD17B10KDM4EHPGDTP53 | |
| SCHEMBL8799923 | 0.83 | ALDH1A1 (0.55) | ALDH1A1HSD17B10KDM4EHPGDTP53 | |
| SCHEMBL14361837 | 0.79 | MAPT (0.54) | ALDH1A1HSD17B10KDM4EHPGDTP53 | |
| SCHEMBL8577094 | 0.78 | SMN1; SMN2 (0.61) | ALDH1A1HSD17B10KDM4EHPGDTP53 | |
| SCHEMBL10620227 | 0.76 | KDM4E (0.52) | ALDH1A1HSD17B10KDM4EHPGDTP53 | |
| SCHEMBL8576848 | 0.75 | TSHR (0.54) | ALDH1A1HSD17B10KDM4EHPGDTP53 | |
| SCHEMBL14916771 | 0.72 | SMN1; SMN2 (0.55) | ALDH1A1KDM4EHPGDTP53MEN1 | |
| SCHEMBL30681986 | 0.72 | KDM4E (0.56) | ALDH1A1KDM4EHPGDTP53MEN1 | |
| SCHEMBL5381896 | 0.72 | KDM4E (0.56) | ALDH1A1KDM4EHPGDTP53MEN1 |
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 |
|---|---|---|---|---|---|---|---|
| US-5731321-A | Endothelin receptor antagonists | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1998-03-24 | — | — | US | disclosed |
| CN-1155539-A | Endothelin receptor antagonists | MERCK PATENT GMBH (DE) | 1997-07-30 | — | — | CN | disclosed |