Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2A | P28223 | 4/20 | 0.47 |
| ▸ | MAOB | P27338 | 2/20 | 0.42 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.41 |
| ▸ | MAOA | P21397 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | IDO1 | P14902 | 2/20 | 0.41 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | CNR2 | P34972 | 1/20 | 0.39 |
| ▸ | GRIK1 | P39086 | 2/20 | 0.38 |
| ▸ | GRIK2 | Q13002 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL14146002 | 1.00 | HTR2A (0.47) | HTR2AMAOBCYP19A1MAOACYP1A2 | |
| SCHEMBL7302039 | 0.81 | HTR2A (0.46) | HTR2AMAOBCYP19A1MAOACYP1A2 | |
| SCHEMBL7302041 | 0.81 | HTR2A (0.46) | HTR2AMAOBCYP19A1MAOACYP1A2 | |
| SCHEMBL1665791 | 0.80 | HTR2A (0.47) | HTR2AMAOBCYP19A1MAOACYP1A2 | |
| SCHEMBL13733263 | 0.79 | EPHX1 (0.50) | HTR2AMAOATAAR1CNR2 | |
| SCHEMBL15521920 | 0.79 | EPHX1 (0.50) | HTR2AMAOATAAR1CNR2 | |
| SCHEMBL12525245 | 0.79 | EPHX1 (0.50) | HTR2AMAOATAAR1CNR2 | |
| SCHEMBL21065984 | 0.79 | EPHX1 (0.50) | HTR2AMAOATAAR1CNR2 | |
| SCHEMBL13733261 | 0.79 | EPHX1 (0.50) | HTR2AMAOATAAR1CNR2 | |
| SCHEMBL12524560 | 0.79 | EPHX1 (0.50) | HTR2AMAOATAAR1CNR2 |
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 |
|---|---|---|---|---|---|---|---|
| CN-104703965-A | Alpha hydroxy amides | MERCK PATENT GMBH | 2015-06-10 | — | — | CN | disclosed |
| CN-1206004-A | New substituted azetidinones and their use | MERCK & CO INC (US) | 1999-01-27 | — | — | CN | disclosed |
| CN-1090272-A | Novel substituted azetidinones as anti-inflammatory and anti-allergic agents | MERCK & CO INC (US) | 1994-08-03 | — | — | CN | disclosed |