Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.61 |
| ▸ | TSHR | P16473 | 3/20 | 0.61 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.61 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.61 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.61 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.53 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.53 |
| ▸ | NPC1 | O15118 | 3/20 | 0.52 |
| ▸ | RAB9A | P51151 | 3/20 | 0.52 |
| ▸ | LMNA | P02545 | 2/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.48 |
| ▸ | MEN1 | O00255 | 1/20 | 0.48 |
| ▸ | HPGD | P15428 | 1/20 | 0.48 |
| ▸ | LTA4H | P09960 | 1/20 | 0.45 |
| ▸ | RECQL | P46063 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 3/20 | 0.44 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | HTR1A | P08908 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL2384241 | 0.83 | ALDH1A1 (0.54) | ALDH1A1TSHRALOX15HSD17B10MAPK1 | |
| SCHEMBL5364427 | 0.82 | ALDH1A1 (0.65) | ALDH1A1TSHRALOX15HSD17B10MAPK1 | |
| SCHEMBL20475489 | 0.76 | NPC1 (0.60) | ALDH1A1TSHRALOX15HSD17B10SMN1; SMN2 | |
| SCHEMBL5366155 | 0.76 | ALDH1A1 (0.52) | ALDH1A1TSHRALOX15HSD17B10MAPK1 | |
| SCHEMBL12251225 | 0.73 | ALDH1A1 (0.53) | ALDH1A1TSHRALOX15HSD17B10MAPK1 | |
| SCHEMBL12251257 | 0.73 | ALDH1A1 (0.53) | ALDH1A1TSHRALOX15HSD17B10MAPK1 | |
| Hydrochloric Acid SCHEMBL2384760 | 0.72 | ALDH1A1 (0.52) | ALDH1A1TSHRALOX15HSD17B10MAPK1 | |
| SCHEMBL2383819 | 0.71 | ALDH1A1 (0.67) | ALDH1A1TSHRALOX15HSD17B10MAPK1 | |
| SCHEMBL25234990 | 0.70 | SMN1; SMN2 (0.48) | ALDH1A1TSHRALOX15HSD17B10SMN1; SMN2 | |
| SCHEMBL2387034 | 0.70 | F10 (0.58) | TSHRHSD17B10SMN1; SMN2LMNAKDM4E |
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 |