Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.47 |
| ▸ | FAAH | O00519 | 2/20 | 0.36 |
| ▸ | TRPV1 | Q8NER1 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.35 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.34 |
| ▸ | GPR84 | Q9NQS5 | 5/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.32 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.32 |
| ▸ | DDAH1 | O94760 | 1/20 | 0.32 |
| ▸ | GAPDH | P04406 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL6776556 | 0.88 | ALDH1A1 (0.44) | TSHRALDH1A1NFKB1GPR84FFAR4 | |
| SCHEMBL6261483 | 0.82 | NFKB1 (0.48) | ALDH1A1NFKB1GPR84FFAR4FFAR1 | |
| SCHEMBL11624224 | 0.80 | GPR84 (0.50) | ALDH1A1NFKB1GPR84FFAR4FFAR1 | |
| SCHEMBL11689543 | 0.80 | GPR84 (0.50) | ALDH1A1NFKB1GPR84FFAR4FFAR1 | |
| SCHEMBL10906089 | 0.80 | GPR84 (0.50) | ALDH1A1NFKB1GPR84FFAR4FFAR1 | |
| SCHEMBL6294221 | 0.80 | GPR84 (0.50) | ALDH1A1NFKB1GPR84FFAR4FFAR1 | |
| SCHEMBL10947381 | 0.80 | GPR84 (0.50) | ALDH1A1NFKB1GPR84FFAR4FFAR1 | |
| SCHEMBL11692164 | 0.80 | GPR84 (0.50) | ALDH1A1NFKB1GPR84FFAR4FFAR1 | |
| SCHEMBL6382813 | 0.80 | GPR84 (0.50) | ALDH1A1NFKB1GPR84FFAR4FFAR1 | |
| SCHEMBL11692251 | 0.80 | GPR84 (0.50) | ALDH1A1NFKB1GPR84FFAR4FFAR1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-1996001813-A1 | CONFORMATIONALLY RIGID BICYCLIC AND ADAMANTANE DERIVATIVES USEFUL AS α2-ADRENERGIC BLOCKING AGENTS | ALLERGAN (US) | 1996-01-25 | — | — | WO | disclosed |