Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMYD3 | Q9H7B4 | 18/20 | 0.56 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | HPGD | P15428 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | RAB9A | P51151 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL15085653 | 1.00 | SMYD3 (0.56) | SMYD3CYP3A4HPGDCYP2C19RAB9A | |
| SCHEMBL4322893 | 0.92 | HPGD (0.51) | SMYD3CYP3A4HPGDCYP2C19RAB9A | |
| SCHEMBL15514660 | 0.84 | CYP3A4 (0.44) | SMYD3CYP3A4HPGDCYP2C19RAB9A | |
| SCHEMBL18199497 | 0.83 | RAB9A (0.49) | SMYD3CYP3A4HPGDCYP2C19RAB9A | |
| SCHEMBL5067337 | 0.83 | RAB9A (0.49) | SMYD3CYP3A4HPGDCYP2C19RAB9A | |
| SCHEMBL5907660 | 0.81 | HPGD (0.47) | SMYD3CYP3A4HPGDCYP2C19RAB9A | |
| SCHEMBL15515077 | 0.80 | SMYD3 (0.41) | SMYD3CYP3A4HPGDCYP2C19RAB9A | |
| SCHEMBL23520817 | 0.79 | HPGD (0.46) | SMYD3CYP3A4HPGDCYP2C19RAB9A | |
| SCHEMBL6420802 | 0.79 | KMT2A (0.48) | SMYD3CYP3A4HPGDCYP2C19RAB9A | |
| SCHEMBL16375019 | 0.79 | SMYD3 (0.53) | SMYD3CYP3A4HPGDCYP2C19RAB9A |
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-2011014494-A1 | ENANTIO- AND STEREO-SPECIFIC SYNTHESES OF β-AMINO-α- HYDROXY AMIDES | SCHERING CORPORATION (US) | 2011-02-03 | — | — | WO | disclosed |