Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.47 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.47 |
| ▸ | TSHR | P16473 | 4/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.40 |
| ▸ | THRB | P10828 | 1/20 | 0.39 |
| ▸ | ATM | Q13315 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.35 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.35 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | CASP6 | P55212 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL7136670 | 1.00 | ALDH1A1 (0.47) | ALDH1A1NPSR1TSHRL3MBTL1THRB | |
| SCHEMBL3856521 | 0.98 | ALDH1A1 (0.49) | ALDH1A1NPSR1TSHRL3MBTL1THRB | |
| SCHEMBL4371216 | 0.98 | ALDH1A1 (0.49) | ALDH1A1NPSR1TSHRL3MBTL1THRB | |
| SCHEMBL31618367 | 0.96 | ALDH1A1 (0.43) | ALDH1A1NPSR1TSHRL3MBTL1THRB | |
| SCHEMBL1459855 | 0.92 | L3MBTL1 (0.42) | ALDH1A1NPSR1TSHRL3MBTL1CYP2D6 | |
| SCHEMBL3646749 | 0.92 | L3MBTL1 (0.42) | ALDH1A1NPSR1TSHRL3MBTL1CYP2D6 | |
| SCHEMBL31711972 | 0.84 | ALDH1A1 (0.43) | ALDH1A1NPSR1TSHRL3MBTL1GAA | |
| SCHEMBL28839132 | 0.84 | TSHR (0.41) | ALDH1A1NPSR1TSHRL3MBTL1THRB | |
| SCHEMBL30436282 | 0.84 | ALDH1A1 (0.52) | ALDH1A1NPSR1TSHRL3MBTL1THRB | |
| SCHEMBL13660805 | 0.82 | ALDH1A1 (0.55) | ALDH1A1NPSR1TSHRL3MBTL1THRB |
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-2250165-A1 | TRIAZOLE OXADIAZOLES DERIVATIVES | Merck Serono S.A. (CH) | 2010-11-17 | — | — | EP | disclosed |
| WO-2009080663-A1 | TRIAZOLE OXADIAZOLES DERIVATIVES | MERCK SERONO S.A. (CH) | 2009-07-02 | — | — | WO | disclosed |