Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMYD3 | Q9H7B4 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | MTNR1A | P48039 | 3/20 | 0.35 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | HTR1A | P08908 | 4/20 | 0.33 |
| ▸ | HTR2A | P28223 | 4/20 | 0.33 |
| ▸ | DRD3 | P35462 | 4/20 | 0.33 |
| ▸ | MASP2 | O00187 | 1/20 | 0.33 |
| ▸ | F2 | P00734 | 1/20 | 0.33 |
| ▸ | HTR2C | P28335 | 2/20 | 0.32 |
| ▸ | DRD2 | P14416 | 1/20 | 0.32 |
| ▸ | DDB1 | Q16531 | 1/20 | 0.30 |
| ▸ | CRBN | Q96SW2 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL5494843 | 0.84 | SMYD3 (0.49) | SMYD3GAAMAPTMTNR1AEPHX2 | |
| SCHEMBL17647218 | 0.77 | MAPT (0.47) | SMYD3GAAMAPTMTNR1AEPHX2 | |
| SCHEMBL27358248 | 0.75 | GAA (0.61) | SMYD3GAAMAPTMTNR1AEPHX2 | |
| SCHEMBL7294748 | 0.75 | GAA (0.61) | SMYD3GAAMAPTMTNR1AEPHX2 | |
| SCHEMBL17647569 | 0.71 | MTNR1A (0.39) | SMYD3MTNR1AEPHX2DRD2 | |
| Oxalic Acid SCHEMBL7294772 | 0.71 | MAPT (0.60) | SMYD3GAAMAPTMTNR1AEPHX2 | |
| SCHEMBL926907 | 0.70 | SMYD3 (0.56) | SMYD3GAAMAPTMTNR1AHTR1A | |
| SCHEMBL7433964 | 0.70 | SMYD3 (0.56) | SMYD3GAAMAPTMTNR1AHTR1A | |
| SCHEMBL30357995 | 0.70 | SMYD3 (0.56) | SMYD3GAAMAPTMTNR1AHTR1A | |
| SCHEMBL8567081 | 0.70 | SMYD3 (0.56) | 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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 |