Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.40 |
| ▸ | POLB | P06746 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.36 |
| ▸ | GAA | P10253 | 2/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 2/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.34 |
| ▸ | CES2 | O00748 | 1/20 | 0.34 |
| ▸ | CES1 | P23141 | 1/20 | 0.34 |
| ▸ | GSK3B | P49841 | 1/20 | 0.34 |
| ▸ | RXFP1 | Q9HBX9 | 2/20 | 0.34 |
| ▸ | HPGD | P15428 | 2/20 | 0.34 |
| ▸ | PPARG | P37231 | 2/20 | 0.34 |
| ▸ | NCOA2 | Q15596 | 2/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | ESR1 | P03372 | 1/20 | 0.34 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL5565183 | 0.72 | NPSR1 (0.42) | TSHRPOLBALDH1A1GAAMAPK1 | |
| SCHEMBL1400828 | 0.68 | ALDH1A1 (0.63) | TSHRPOLBALDH1A1MAPTLMNA | |
| SCHEMBL64687 | 0.68 | HDAC3 (0.58) | TSHRPOLBALDH1A1GAAMAPT | |
| SCHEMBL9139083 | 0.68 | TSHR (0.58) | TSHRPOLBALDH1A1GAALMNA | |
| SCHEMBL3958438 | 0.67 | HDAC3 (0.57) | TSHRPOLBALDH1A1GAAMAPT | |
| SCHEMBL9224528 | 0.67 | TSHR (0.50) | TSHRALDH1A1MAPTKMT2AHPGD | |
| SCHEMBL10710710 | 0.67 | TSHR (0.57) | TSHRALDH1A1GAAMAPTLMNA | |
| SCHEMBL24100191 | 0.67 | GBA1 (0.53) | TSHRALDH1A1GAAMAPK1MAPT | |
| SCHEMBL12449209 | 0.67 | CES2 (0.39) | POLBALDH1A1GAAMAPTLMNA | |
| SCHEMBL14375968 | 0.66 | TSHR (0.56) | TSHRALDH1A1MAPTLMNAKMT2A |
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-2627648-A1 | 17aHYDROXYLASE/C17,20-LYASE INHIBITORS | Novartis AG (CH) | 2013-08-21 | — | — | EP | disclosed |
| WO-2012035078-A1 | 17α-HYDROXYLASE/C17,20-LYASE INHIBITORS | NOVARTIS AG (CH) | 2012-03-22 | — | — | WO | disclosed |