Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TLR4 | O00206 | 1/20 | 0.52 |
| ▸ | TLR2 | O60603 | 1/20 | 0.52 |
| ▸ | LMNA | P02545 | 3/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.45 |
| ▸ | ACHE | P22303 | 1/20 | 0.44 |
| ▸ | LYN | P07948 | 1/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.43 |
| ▸ | HTT | P42858 | 2/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | MRGPRX1 | Q96LB2 | 1/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | F2 | P00734 | 1/20 | 0.39 |
| ▸ | P2RX3 | P56373 | 1/20 | 0.39 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.39 |
| ▸ | GCK | P35557 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL5431733 | 0.83 | TLR4 (0.52) | TLR4TLR2ALDH1A1ACHEMEN1 | |
| SCHEMBL3996307 | 0.82 | TLR4 (0.40) | TLR4TLR2LMNAALDH1A1TDP1 | |
| SCHEMBL12100240 | 0.80 | TLR4 (0.52) | TLR4TLR2LMNATDP1MEN1 | |
| SCHEMBL7355562 | 0.80 | TLR4 (0.52) | TLR4TLR2LMNATDP1MEN1 | |
| SCHEMBL4686579 | 0.80 | TLR4 (0.52) | TLR4TLR2ALDH1A1GAAMEN1 | |
| SCHEMBL8052741 | 0.80 | TLR4 (0.52) | TLR4TLR2LMNAALDH1A1L3MBTL1 | |
| SCHEMBL26298581 | 0.79 | ALDH1A1 (0.49) | TLR4TLR2ALDH1A1HTTTDP1 | |
| SCHEMBL2110045 | 0.78 | TLR4 (0.49) | TLR4TLR2ALDH1A1L3MBTL1MEN1 | |
| SCHEMBL3993525 | 0.78 | TLR4 (0.44) | TLR4TLR2LMNAALDH1A1L3MBTL1 | |
| SCHEMBL9367822 | 0.77 | TLR4 (0.47) | TLR4TLR2P2RX3 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0815108-A1 | CYCLIC UREA HIV PROTEASE INHIBITORS | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1998-01-07 | — | — | EP | claimed |
| US-5683999-A | Cyclic urea HIV protease inhibitors | THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) | 1997-11-04 | — | — | US | claimed |
| EP-0815108-A1 | CYCLIC UREA HIV PROTEASE INHIBITORS | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1998-01-07 | — | — | EP | disclosed |
| US-5683999-A | Cyclic urea HIV protease inhibitors | THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) | 1997-11-04 | — | — | US | disclosed |