Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.65 |
| ▸ | TSHR | P16473 | 2/20 | 0.65 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.65 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.65 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.65 |
| ▸ | PRMT5 | O14744 | 1/20 | 0.45 |
| ▸ | HTT | P42858 | 2/20 | 0.43 |
| ▸ | MAPT | P10636 | 2/20 | 0.43 |
| ▸ | STAT3 | P40763 | 2/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.43 |
| ▸ | HRH4 | Q9H3N8 | 3/20 | 0.43 |
| ▸ | AKT2 | P31751 | 3/20 | 0.41 |
| ▸ | GSK3B | P49841 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | HTR1A | P08908 | 2/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | MGMT | P16455 | 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 | |
|---|---|---|---|---|
| SCHEMBL12251225 | 0.90 | ALDH1A1 (0.53) | ALDH1A1TSHRALOX15MAPK1HSD17B10 | |
| Hydrochloric Acid SCHEMBL2384760 | 0.89 | ALDH1A1 (0.52) | ALDH1A1TSHRALOX15MAPK1HSD17B10 | |
| SCHEMBL5364422 | 0.82 | ALDH1A1 (0.61) | ALDH1A1TSHRALOX15MAPK1HSD17B10 | |
| SCHEMBL5366155 | 0.77 | ALDH1A1 (0.52) | ALDH1A1TSHRALOX15MAPK1HSD17B10 | |
| SCHEMBL12251257 | 0.76 | ALDH1A1 (0.53) | ALDH1A1TSHRALOX15MAPK1HSD17B10 | |
| SCHEMBL2384241 | 0.74 | ALDH1A1 (0.54) | ALDH1A1TSHRALOX15MAPK1HSD17B10 | |
| SCHEMBL738630 | 0.74 | PRMT5 (0.56) | ALDH1A1PRMT5HTTMAPTNPC1 | |
| SCHEMBL2383819 | 0.73 | ALDH1A1 (0.67) | ALDH1A1TSHRALOX15MAPK1HSD17B10 | |
| SCHEMBL2383667 | 0.69 | ALDH1A1 (0.57) | ALDH1A1TSHRALOX15MAPK1HSD17B10 | |
| SCHEMBL2382669 | 0.69 | ALDH1A1 (0.57) | ALDH1A1TSHRALOX15MAPK1HSD17B10 |
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-7259157-B2 | N-substituted nonaryl-heterocyclo amidyl NMDA/NR2B Antagonists | MERCK & CO., INC. (US) | 2007-08-21 | — | — | US | disclosed |