Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TLR8 | Q9NR97 | 3/20 | 0.36 |
| ▸ | TLR7 | Q9NYK1 | 3/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.34 |
| ▸ | CETP | P11597 | 1/20 | 0.34 |
| ▸ | RXFP1 | Q9HBX9 | 2/20 | 0.33 |
| ▸ | HTT | P42858 | 2/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | TYMP | P19971 | 1/20 | 0.33 |
| ▸ | PDE4A | P27815 | 2/20 | 0.31 |
| ▸ | PDE4B | Q07343 | 2/20 | 0.31 |
| ▸ | PDE4C | Q08493 | 2/20 | 0.31 |
| ▸ | PDE4D | Q08499 | 2/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL9738686 | 0.81 | PDE4A (0.33) | TLR8TLR7ALDH1A1CETPTYMP | |
| Acetic Acid SCHEMBL9257350 | 0.79 | PDE4A (0.35) | ALDH1A1RXFP1HTTPOLBPDE4A | |
| SCHEMBL5158467 | 0.78 | PDE10A (0.35) | ALDH1A1CETPTYMPPDE4APDE4B | |
| SCHEMBL9843662 | 0.78 | MAPT (0.37) | TLR8TLR7ALDH1A1RXFP1HTT | |
| SCHEMBL9739507 | 0.78 | TLR8 (0.42) | TLR8TLR7 | |
| SCHEMBL649969 | 0.75 | TLR8 (0.39) | TLR8TLR7ALDH1A1HTTKDM4E | |
| SCHEMBL855416 | 0.74 | CYP1A2 (0.31) | RXFP1CYP1A2CYP2C9CYP2C19CYP2D6 | |
| SCHEMBL13531385 | 0.74 | TLR8 (0.43) | TLR8TLR7ALDH1A1HTTSMN1; SMN2 | |
| SCHEMBL16229359 | 0.73 | TYMP (0.34) | TLR8TLR7ALDH1A1HTTSMN1; SMN2 | |
| SCHEMBL16229360 | 0.73 | GCGR (0.36) | TLR8TLR7ALDH1A1HTTTYMP |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5100897-A | Hypotensive agents, congestive heart failure, ocular hypertension | MERCK & CO., INC. (US) | 1992-03-31 | — | — | US | disclosed |
| EP-0419048-A2 | Substituted pyrimidinones as angiotensin II antagonists | MERCK & CO. INC. (US) | 1991-03-27 | — | — | EP | disclosed |