Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MTNR1A | P48039 | 4/20 | 0.49 |
| ▸ | MTNR1B | P49286 | 4/20 | 0.49 |
| ▸ | GRIN2B | Q13224 | 5/20 | 0.46 |
| ▸ | SMYD3 | Q9H7B4 | 1/20 | 0.43 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.43 |
| ▸ | MME | P08473 | 1/20 | 0.42 |
| ▸ | TAOK1 | Q7L7X3 | 2/20 | 0.41 |
| ▸ | TAOK3 | Q9H2K8 | 1/20 | 0.41 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.41 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.41 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.41 |
| ▸ | CA1 | P00915 | 1/20 | 0.41 |
| ▸ | CA2 | P00918 | 1/20 | 0.41 |
| ▸ | ACHE | P22303 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL7922905 | 0.92 | MME (0.48) | GRIN2BSMYD3MMESLC6A2SLC6A4 | |
| SCHEMBL7917158 | 0.85 | MTNR1A (0.50) | MTNR1AMTNR1BGRIN2BMMETAOK1 | |
| SCHEMBL7915722 | 0.83 | MTNR1A (0.48) | MTNR1AMTNR1BGRIN2BMMETAOK1 | |
| SCHEMBL7919881 | 0.83 | MTNR1A (0.51) | MTNR1AMTNR1BMMETAOK1TAOK3 | |
| SCHEMBL7919878 | 0.83 | EPHX1 (0.50) | SMYD3SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL7919565 | 0.82 | EPHX2 (0.50) | SMYD3SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL7921872 | 0.82 | EPHX2 (0.50) | SMYD3SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL7910472 | 0.76 | SSTR4 (0.41) | SMYD3SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL4375995 | 0.73 | SLC6A2 (0.50) | SMYD3SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL31682187 | 0.72 | SLC6A2 (0.51) | SMYD3MMESLC6A2SLC6A4SLC6A3 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2010054968-A1 | QUINAZOLINE DERIVATIVES AS NK3 RECEPTOR ANTAGONISTS | F. HOFFMANN-LA ROCHE AG (CH) | 2010-05-20 | — | — | WO | disclosed |