Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.53 |
| ▸ | GAA | P10253 | 2/20 | 0.53 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.46 |
| ▸ | HTT | P42858 | 1/20 | 0.45 |
| ▸ | BCAT2 | O15382 | 1/20 | 0.45 |
| ▸ | HDAC1 | Q13547 | 3/20 | 0.42 |
| ▸ | HDAC6 | Q9UBN7 | 3/20 | 0.42 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.42 |
| ▸ | CA12 | O43570 | 1/20 | 0.42 |
| ▸ | CA1 | P00915 | 1/20 | 0.42 |
| ▸ | IDO1 | P14902 | 1/20 | 0.42 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.42 |
| ▸ | CA9 | Q16790 | 1/20 | 0.42 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.42 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.42 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL9821305 | 0.83 | CYP2D6 (0.45) | ALDH1A1HDAC1HDAC6 | |
| SCHEMBL9713098 | 0.75 | CYP3A4 (0.49) | GAACYP3A4CYP2C9CYP2C19HTT | |
| SCHEMBL5924206 | 0.74 | HDAC6 (0.35) | ALDH1A1GAACYP3A4CYP2C9CYP2C19 | |
| SCHEMBL3668615 | 0.72 | SMN1; SMN2 (0.52) | ALDH1A1GAACYP3A4CYP2C9CYP2C19 | |
| SCHEMBL12841358 | 0.71 | TSHR (0.70) | ALDH1A1GAACYP3A4CYP2C9CYP2C19 | |
| SCHEMBL17714580 | 0.71 | CYP3A4 (0.52) | GAACYP3A4CYP2C9CYP2C19HTT | |
| SCHEMBL29531015 | 0.70 | NAMPT (0.54) | GAASMN1; SMN2HDAC1HDAC6LMNA | |
| SCHEMBL1608161 | 0.69 | ALDH1A1 (0.61) | ALDH1A1GAASMN1; SMN2LMNA | |
| SCHEMBL6598806 | 0.69 | TSHR (0.53) | ALDH1A1CYP3A4CYP2C9CYP2C19SMN1; SMN2 | |
| SCHEMBL7982337 | 0.68 | CYP26A1 (0.44) | ALDH1A1GAACYP3A4CYP2C9CYP2C19 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1322309-A4 | HIGH AFFINITY SMALL MOLECULE C5A RECEPTOR MODULATORS | NEUROGEN CORP (US) | 2004-10-13 | — | — | EP | disclosed |
| EP-1322309-A2 | HIGH AFFINITY SMALL MOLECULE C5A RECEPTOR MODULATORS | Neurogen Corporation (US) | 2003-07-02 | — | — | EP | disclosed |
| WO-2002049993-A2 | HIGH AFFINITY SMALL MOLECULE C5A RECEPTOR MODULATORS | NEUROGEN CORPORATION (US) | 2002-06-27 | — | — | WO | disclosed |