Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.50 |
| ▸ | ALPI | P09923 | 1/20 | 0.47 |
| ▸ | PKM | P14618 | 1/20 | 0.47 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.47 |
| ▸ | XIAP | P98170 | 1/20 | 0.47 |
| ▸ | SLC7A5 | Q01650 | 1/20 | 0.47 |
| ▸ | CPA3 | P15088 | 3/20 | 0.44 |
| ▸ | CPA1 | P15085 | 2/20 | 0.44 |
| ▸ | FOLH1 | Q04609 | 1/20 | 0.44 |
| ▸ | CPB1 | P15086 | 1/20 | 0.44 |
| ▸ | CPB2 | Q96IY4 | 1/20 | 0.44 |
| ▸ | SRR | Q9GZT4 | 2/20 | 0.43 |
| ▸ | SLC1A3 | P43003 | 2/20 | 0.43 |
| ▸ | SLC1A2 | P43004 | 2/20 | 0.43 |
| ▸ | SLC1A1 | P43005 | 2/20 | 0.43 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.43 |
| ▸ | BACE1 | P56817 | 1/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.42 |
| ▸ | P4HTM | Q9NXG6 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL5062356 | 1.00 | CYP1A2 (0.50) | CYP1A2ALPIPKMPTGS1XIAP | |
| SCHEMBL28216477 | 0.86 | EPHX1 (0.53) | CYP1A2ALPIPKMPTGS1XIAP | |
| SCHEMBL2808578 | 0.84 | CYP1A2 (0.52) | CYP1A2ALPIPKMPTGS1XIAP | |
| SCHEMBL4421756 | 0.84 | CYP1A2 (0.52) | CYP1A2ALPIPKMPTGS1XIAP | |
| SCHEMBL3496986 | 0.84 | CYP1A2 (0.52) | CYP1A2ALPIPKMPTGS1XIAP | |
| SCHEMBL5056882 | 0.82 | PTGS1 (0.45) | PTGS1MIF | |
| SCHEMBL27935561 | 0.82 | PTGS1 (0.45) | PTGS1MIF | |
| SCHEMBL4700347 | 0.82 | MIF (0.54) | HSD17B10ALDH1A1MIFPPARGPPARA | |
| Water SCHEMBL27350729 | 0.82 | CYP1A2 (0.50) | CYP1A2ALPIPKMPTGS1XIAP | |
| SCHEMBL27832950 | 0.82 | CYP1A2 (0.50) | CYP1A2ALPIPKMPTGS1XIAP |
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 |
|---|---|---|---|---|---|---|---|
| EP-1330451-A2 | SUBSTITUTED BENZIMIDAZOL-2-ONES AS VASOPRESSIN RECEPTOR ANTAGONISTS AND NEUROPEPTIDE Y MODULATORS | Ortho-McNeil Pharmaceutical, Inc. (US) | 2003-07-30 | — | — | EP | disclosed |
| WO-2002055514-A2 | SUBSTITUTED BENZIMIDAZOL-2-ONES AS VASOPRESSIN RECEPTOR ANTAGONISTS AND NEUROPEPTIDE Y MODULATORS | ORTHO MCNEIL PHARM INC (US) | 2002-07-18 | — | — | WO | disclosed |