Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.52 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.52 |
| ▸ | TSHR | P16473 | 1/20 | 0.52 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.52 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.52 |
| ▸ | HDAC3 | O15379 | 3/20 | 0.48 |
| ▸ | HDAC4 | P56524 | 3/20 | 0.48 |
| ▸ | HDAC1 | Q13547 | 3/20 | 0.48 |
| ▸ | HDAC7 | Q8WUI4 | 3/20 | 0.48 |
| ▸ | HDAC2 | Q92769 | 3/20 | 0.48 |
| ▸ | HDAC10 | Q969S8 | 3/20 | 0.48 |
| ▸ | HDAC11 | Q96DB2 | 3/20 | 0.48 |
| ▸ | HDAC8 | Q9BY41 | 3/20 | 0.48 |
| ▸ | HDAC6 | Q9UBN7 | 3/20 | 0.48 |
| ▸ | HDAC9 | Q9UKV0 | 3/20 | 0.48 |
| ▸ | HDAC5 | Q9UQL6 | 3/20 | 0.48 |
| ▸ | CKS1B | P61024 | 1/20 | 0.46 |
| ▸ | SKP1 | P63208 | 1/20 | 0.46 |
| ▸ | SKP2 | Q13309 | 1/20 | 0.46 |
| ▸ | CHRM4 | P08173 | 5/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL14425216 | 0.87 | ALDH1A1 (0.48) | ALDH1A1ALOX15TSHRMAPK1HSD17B10 | |
| SCHEMBL5364427 | 0.77 | ALDH1A1 (0.65) | ALDH1A1ALOX15TSHRMAPK1HSD17B10 | |
| SCHEMBL5368103 | 0.75 | TPSAB1 (0.71) | HDAC3HDAC4HDAC1HDAC7HDAC2 | |
| SCHEMBL2385473 | 0.75 | CKS1B (0.49) | ALDH1A1ALOX15TSHRMAPK1HSD17B10 | |
| SCHEMBL5371060 | 0.74 | HDAC3 (0.82) | HDAC3HDAC4HDAC1HDAC7HDAC2 | |
| SCHEMBL5519296 | 0.72 | HDAC3 (0.51) | HDAC3HDAC4HDAC1HDAC7HDAC2 | |
| SCHEMBL5532633 | 0.72 | HDAC3 (0.51) | ALDH1A1HDAC3HDAC4HDAC1HDAC7 | |
| SCHEMBL5519300 | 0.72 | HDAC3 (0.51) | HDAC3HDAC4HDAC1HDAC7HDAC2 | |
| SCHEMBL5532627 | 0.72 | HDAC3 (0.51) | ALDH1A1HDAC3HDAC4HDAC1HDAC7 | |
| SCHEMBL5367502 | 0.72 | TPSAB1 (0.66) | ALDH1A1HDAC3HDAC4HDAC1HDAC7 |
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 3 patents. 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 |
| US-7259157-B2 | N-substituted nonaryl-heterocyclo amidyl NMDA/NR2B Antagonists | MERCK & CO., INC. (US) | 2007-08-21 | — | — | US | disclosed |
| US-7259157-B2 | N-substituted nonaryl-heterocyclo amidyl NMDA/NR2B Antagonists | MERCK & CO., INC. (US) | 2007-08-21 | — | — | US | disclosed |