Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPM5 | Q9NZQ8 | 16/20 | 0.40 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.39 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.35 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.35 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.35 |
| ▸ | ESR1 | P03372 | 1/20 | 0.32 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.32 |
| ▸ | MTOR | P42345 | 1/20 | 0.32 |
| ▸ | CDC7 | O00311 | 1/20 | 0.31 |
| ▸ | PLK4 | O00444 | 1/20 | 0.31 |
| ▸ | AURKA | O14965 | 1/20 | 0.31 |
| ▸ | DAPK3 | O43293 | 1/20 | 0.31 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.31 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.31 |
| ▸ | PIM1 | P11309 | 1/20 | 0.31 |
| ▸ | PRKACA | P17612 | 1/20 | 0.31 |
| ▸ | AXL | P30530 | 1/20 | 0.31 |
| ▸ | CSNK1D | P48730 | 1/20 | 0.31 |
| ▸ | GSK3A | P49840 | 1/20 | 0.31 |
| ▸ | GSK3B | P49841 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL1144862 | 0.74 | TRPM5 (0.43) | TRPM5TRPA1SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL27855062 | 0.69 | ESR1 (0.45) | TRPM5TRPA1ESR1CDC7PLK4 | |
| SCHEMBL8178831 | 0.69 | CYP1A2 (0.44) | TRPM5TRPA1SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL8965394 | 0.69 | PDE3B (0.56) | TRPM5 | |
| SCHEMBL16861005 | 0.69 | TRPM5 (0.50) | TRPM5TRPA1SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL18171767 | 0.69 | TRPM5 (0.52) | TRPM5TRPA1SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL20274103 | 0.69 | TRPM5 (0.46) | TRPM5TRPA1 | |
| SCHEMBL22858 | 0.67 | — | — | |
| SCHEMBL2877030 | 0.67 | — | — | |
| Formaldehyde SCHEMBL27277947 | 0.67 | SLC6A2 (0.36) | TRPM5TRPA1SLC6A2SLC6A4SLC6A3 |
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 |
|---|---|---|---|---|---|---|---|
| WO-1997008150-A1 | SUBSTITUTED CYCLIC UREAS AND DERIVATIVES THEREOF USEFUL AS RETROVIRAL PROTEASE INHIBITORS | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1997-03-06 | — | — | WO | claimed |
| US-5763469-A | Substituted cyclic ureas and derivatives thereof useful as retroviral protease inhibitors | THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) | 1998-06-09 | — | — | US | disclosed |
| WO-1997008150-A1 | SUBSTITUTED CYCLIC UREAS AND DERIVATIVES THEREOF USEFUL AS RETROVIRAL PROTEASE INHIBITORS | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1997-03-06 | — | — | WO | disclosed |