Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR2 | Q92731 | 13/20 | 0.41 |
| ▸ | ESR1 | P03372 | 6/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.39 |
| ▸ | NAAA | Q02083 | 2/20 | 0.38 |
| ▸ | MRGPRX4 | Q96LA9 | 1/20 | 0.37 |
| ▸ | ASAH1 | Q13510 | 1/20 | 0.37 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.36 |
| ▸ | SPHK1 | Q9NYA1 | 1/20 | 0.36 |
| ▸ | KDM5A | P29375 | 1/20 | 0.35 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.35 |
| ▸ | KDM5B | Q9UGL1 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL28088177 | 0.91 | NAAA (0.46) | ESR2NAAAASAH1HRH3 | |
| SCHEMBL9313732 | 0.83 | CYP2C9 (0.49) | ESR2ESR1CYP3A4CYP2C9SPHK1 | |
| SCHEMBL11392894 | 0.81 | CA2 (0.39) | CYP3A4 | |
| SCHEMBL15533034 | 0.78 | ESR2 (0.37) | ESR2ESR1CYP3A4CYP2C9NAAA | |
| SCHEMBL27631356 | 0.77 | GBA1 (0.36) | CYP2C9HRH3 | |
| SCHEMBL16670910 | 0.75 | SPHK1 (0.40) | ESR2ESR1CYP3A4CYP2C9SPHK1 | |
| SCHEMBL15043522 | 0.75 | ESR2 (0.53) | ESR2ESR1CYP3A4CYP2C9NAAA | |
| SCHEMBL11316154 | 0.74 | ESR1 (0.42) | ESR2ESR1CYP3A4CYP2C9 | |
| SCHEMBL11320245 | 0.74 | IDO1 (0.41) | HRH3 | |
| SCHEMBL1707096 | 0.74 | NOS3 (0.34) | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2023284651-A1 | N-(2-AMINOPHENYL)BENZAMIDE COMPOUND AND APPLICATION THEREOF | 南京明德新药研发有限公司 | 2023-01-19 | — | — | WO | disclosed |
| EP-1390034-A4 | N-SUBSTITUTED NONARYL-HETEROCYCLO AMIDYL NMDA/NR2B ANTAGONISTS | MERCK & CO INC (US) | 2005-07-13 | — | — | EP | disclosed |
| EP-1399160-A4 | NR2B RECEPTOR ANTAGONISTS FOR THE TREATMENT OR PREVENTION OF MIGRAINES | MERCK & CO INC (US) | 2004-08-25 | — | — | EP | disclosed |
| EP-1399160-A2 | NR2B RECEPTOR ANTAGONISTS FOR THE TREATMENT OR PREVENTION OF MIGRAINES | Merck & Co., Inc. (US) | 2004-03-24 | — | — | EP | disclosed |
| EP-1390034-A1 | N-SUBSTITUTED NONARYL-HETEROCYCLO AMIDYL NMDA/NR2B ANTAGONISTS | Merck & Co., Inc. (US) | 2004-02-25 | — | — | EP | disclosed |
| WO-2002100352-A2 | NR2B RECEPTOR ANTAGONISTS FOR THE TREATMENT OR PREVENTION OF MIGRAINES | MERCK & CO., INC. (US) | 2002-12-19 | — | — | WO | disclosed |
| WO-2002080928-A1 | N-SUBSTITUTED NONARYL-HETEROCYCLO AMIDYL NMDA/NR2B ANTAGONISTS | MERCK & CO., INC. (US) | 2002-10-17 | — | — | WO | disclosed |