Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | THRA | P10827 | 1/20 | 0.56 |
| ▸ | THRB | P10828 | 1/20 | 0.56 |
| ▸ | PTPN11 | Q06124 | 6/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.48 |
| ▸ | SMPD1 | P17405 | 4/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.47 |
| ▸ | HPGD | P15428 | 1/20 | 0.47 |
| ▸ | EGFR | P00533 | 1/20 | 0.46 |
| ▸ | RARB | P10826 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL8419148 | 1.00 | THRA (0.56) | THRATHRBPTPN11KDM4ESMPD1 | |
| SCHEMBL3976207 | 0.91 | PTPN11 (0.60) | THRATHRBPTPN11ALDH1A1HPGD | |
| SCHEMBL6266857 | 0.91 | PTPN11 (0.60) | THRATHRBPTPN11ALDH1A1HPGD | |
| SCHEMBL8769895 | 0.91 | PTPN11 (0.60) | THRATHRBPTPN11ALDH1A1HPGD | |
| SCHEMBL4598873 | 0.91 | PTPN11 (0.60) | THRATHRBPTPN11ALDH1A1HPGD | |
| SCHEMBL10871798 | 0.91 | PTPN11 (0.60) | THRATHRBPTPN11ALDH1A1HPGD | |
| SCHEMBL8986588 | 0.91 | PTPN11 (0.60) | THRATHRBPTPN11ALDH1A1HPGD | |
| Hydrochloric Acid SCHEMBL8419150 | 0.90 | PTPN11 (0.58) | THRATHRBPTPN11ALDH1A1HPGD | |
| SCHEMBL9306503 | 0.87 | THRA (0.56) | THRATHRBPTPN11KDM4ESMPD1 | |
| SCHEMBL3975419 | 0.84 | KDM4E (0.53) | THRATHRBPTPN11KDM4EALDH1A1 |
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-2057173-A1 | AMIDES AS SPHINGOMYELINE INHIBITORS | Novartis AG (CH) | 2009-05-13 | — | — | EP | disclosed |
| WO-2008022771-A1 | AMIDES AS SPHINGOMYELINE INHIBITORS | NOVARTIS AG (CH) | 2008-02-28 | — | — | WO | disclosed |