Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRM4 | P08173 | 2/20 | 0.53 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.48 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.48 |
| ▸ | DRD4 | P21917 | 1/20 | 0.47 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.46 |
| ▸ | HDAC4 | P56524 | 2/20 | 0.46 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.46 |
| ▸ | HDAC7 | Q8WUI4 | 2/20 | 0.46 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.46 |
| ▸ | HDAC10 | Q969S8 | 2/20 | 0.46 |
| ▸ | HDAC11 | Q96DB2 | 2/20 | 0.46 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.46 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.46 |
| ▸ | HDAC9 | Q9UKV0 | 2/20 | 0.46 |
| ▸ | HDAC5 | Q9UQL6 | 2/20 | 0.46 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.46 |
| ▸ | LTA4H | P09960 | 1/20 | 0.46 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.45 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.45 |
| ▸ | CCR3 | P51677 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL14425270 | 1.00 | CHRM4 (0.53) | CHRM4CHRNB2CHRNA4DRD4HDAC3 | |
| SCHEMBL5370678 | 0.84 | CHRM4 (0.63) | CHRM4HDAC3HDAC4HDAC1HDAC7 | |
| SCHEMBL5375113 | 0.82 | CHRNB2 (0.69) | CHRM4CHRNB2CHRNA4LTA4HSLC6A2 | |
| SCHEMBL5365173 | 0.80 | ADRB1 (0.54) | CHRM4CHRNB2CHRNA4DRD4HDAC4 | |
| SCHEMBL5368664 | 0.80 | DRD4 (0.54) | CHRM4CHRNB2CHRNA4DRD4 | |
| SCHEMBL14425262 | 0.78 | F2 (0.53) | HDAC1HDAC6 | |
| SCHEMBL5371368 | 0.78 | F2 (0.53) | HDAC1HDAC6 | |
| SCHEMBL14425224 | 0.78 | F2 (0.53) | HDAC1HDAC6 | |
| SCHEMBL14425190 | 0.78 | F2 (0.53) | HDAC1HDAC6 | |
| SCHEMBL5366982 | 0.77 | CCR2 (0.53) | CHRM4DRD4HDAC3HDAC4HDAC1 |
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 |