Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMYD3 | Q9H7B4 | 1/20 | 0.49 |
| ▸ | GAA | P10253 | 1/20 | 0.49 |
| ▸ | MAPT | P10636 | 1/20 | 0.49 |
| ▸ | MTNR1A | P48039 | 4/20 | 0.44 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | HTR1A | P08908 | 4/20 | 0.39 |
| ▸ | HTR2A | P28223 | 4/20 | 0.39 |
| ▸ | DRD3 | P35462 | 4/20 | 0.39 |
| ▸ | MASP2 | O00187 | 1/20 | 0.39 |
| ▸ | F2 | P00734 | 1/20 | 0.39 |
| ▸ | DRD2 | P14416 | 4/20 | 0.37 |
| ▸ | HTR2C | P28335 | 2/20 | 0.37 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.36 |
| ▸ | SIRT2 | Q8IXJ6 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL17647218 | 0.92 | MAPT (0.47) | SMYD3GAAMAPTMTNR1AEPHX2 | |
| SCHEMBL27358248 | 0.87 | GAA (0.61) | SMYD3GAAMAPTMTNR1AEPHX2 | |
| SCHEMBL7294748 | 0.87 | GAA (0.61) | SMYD3GAAMAPTMTNR1AEPHX2 | |
| SCHEMBL6847865 | 0.84 | SMYD3 (0.39) | SMYD3GAAMAPTMTNR1AEPHX2 | |
| SCHEMBL926907 | 0.84 | SMYD3 (0.56) | SMYD3GAAMAPTMTNR1AHTR1A | |
| SCHEMBL30357995 | 0.84 | SMYD3 (0.56) | SMYD3GAAMAPTMTNR1AHTR1A | |
| SCHEMBL8567081 | 0.84 | SMYD3 (0.56) | SMYD3GAAMAPTMTNR1AHTR1A | |
| SCHEMBL7433964 | 0.84 | SMYD3 (0.56) | SMYD3GAAMAPTMTNR1AHTR1A | |
| Oxalic Acid SCHEMBL7294772 | 0.83 | MAPT (0.60) | SMYD3GAAMAPTMTNR1AEPHX2 | |
| Hydrochloric Acid SCHEMBL5424922 | 0.82 | SMYD3 (0.54) | SMYD3GAAMAPTMTNR1AHTR1A |
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 |
|---|---|---|---|---|---|---|---|
| EP-1773816-A2 | MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS | Vertex Pharmaceuticals Incorporated (US) | 2007-04-18 | — | — | EP | disclosed |
| WO-2006002421-A2 | MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2006-01-05 | — | — | WO | disclosed |
| EP-1399445-A2 | SUBSTITUTED PYRROLOQUINOLINES AND PYRIDOQUINOLINES AS SEROTONIN AGONISTS AND ANTAGONISTS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2004-03-24 | — | — | EP | disclosed |
| WO-2002059124-A2 | SUBSTITUTED PYRROLOQUINOLINES AND PYRIDOQUINOLINES AS SEROTONIN AGONISTS AND ANTAGONISTS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2002-08-01 | — | — | WO | disclosed |
| EP-1114035-A1 | QUINAZOLINE DERIVATIVES AND PHARMACEUTICAL APPLICATIONS THEREOF | SUNTORY LIMITED (JP) | 2001-07-11 | — | — | EP | disclosed |
| WO-2000010982-A1 | QUINAZOLINE DERIVATIVES AND PHARMACEUTICAL APPLICATIONS THEROF | SUNTORY LIMITED (JP) | 2000-03-02 | — | — | WO | disclosed |
| CN-1140174-A | Piperidine derivatives, process for preparation thereof and application thereof in therapeutics | SYNTHELABO (FR) | 1997-01-15 | — | — | CN | disclosed |