Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 2/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.36 |
| ▸ | ACP3 | P15309 | 1/20 | 0.33 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.33 |
| ▸ | CA1 | P00915 | 1/20 | 0.33 |
| ▸ | CA2 | P00918 | 1/20 | 0.33 |
| ▸ | CCR1 | P32246 | 1/20 | 0.32 |
| ▸ | PIP4K2A | P48426 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 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 | |
|---|---|---|---|---|
| SCHEMBL27833706 | 0.86 | CYP2C9 (0.41) | CYP2C9CYP2C19ALDH1A1CYP1A2SLC6A4 | |
| SCHEMBL7820426 | 0.81 | CYP2C19 (0.44) | CYP2C9CYP2C19ALDH1A1CYP1A2ACP3 | |
| Hydrochloric Acid SCHEMBL10433750 | 0.78 | ALDH1A1 (0.42) | CYP2C9CYP2C19ALDH1A1CYP1A2SLC6A4 | |
| SCHEMBL7841213 | 0.77 | HDAC1 (0.46) | — | |
| SCHEMBL11214387 | 0.77 | ALDH1A1 (0.47) | CYP2C9CYP2C19ALDH1A1CYP1A2SLC6A4 | |
| SCHEMBL29061989 | 0.77 | ALDH1A1 (0.47) | CYP2C9CYP2C19ALDH1A1CYP1A2SLC6A4 | |
| SCHEMBL27758162 | 0.77 | ALDH1A1 (0.41) | CYP2C9CYP2C19ALDH1A1CYP1A2SLC6A4 | |
| SCHEMBL27401294 | 0.76 | CYP2C9 (0.43) | CYP2C9CYP2C19ALDH1A1CYP1A2SLC6A4 | |
| SCHEMBL10566916 | 0.76 | HRH3 (0.52) | CCR1 | |
| SCHEMBL7832947 | 0.76 | HDAC1 (0.48) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-6001860-A | N-aryl and N-heteroarylurea derivatives as inhibitors of acyl coenzyme A: Cholesterol acyl transferase (ACAT) | PFIZER INC. (US) | 1999-12-14 | — | — | US | disclosed |
| EP-0642498-A1 | NEW $i(N)-ARYL AND $i(N)-HETEROARYLUREA DERIVATIVES AS INHIBITORS OF ACYL COENZYME A:CHOLESTEROL ACYL TRANSFERASE (ACAT) | PFIZER INC. (US) | 1995-03-15 | — | — | EP | disclosed |
| WO-1993024458-A1 | NEW N-ARYL AND N-HETEROARYLUREA DERIVATIVES AS INHIBITORS OF ACYL COENZYME A:CHOLESTEROL ACYL TRANSFERASE (ACAT) | PFIZER INC. (US) | 1993-12-09 | — | — | WO | disclosed |