Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PIK3CA | P42336 | 11/20 | 0.71 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.46 |
| ▸ | USP2 | O75604 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.46 |
| ▸ | DCTPP1 | Q9H773 | 3/20 | 0.45 |
| ▸ | HPGD | P15428 | 2/20 | 0.45 |
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
| ▸ | LMNA | P02545 | 1/20 | 0.45 |
| ▸ | GAA | P10253 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.45 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 3/20 | 0.44 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.44 |
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | SIRT1 | Q96EB6 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL533158 | 0.93 | PIK3CA (0.81) | PIK3CANPSR1USP2TSHRHSD17B10 | |
| SCHEMBL15975821 | 0.90 | PIK3CA (0.86) | PIK3CANPSR1USP2TSHRHSD17B10 | |
| SCHEMBL15975843 | 0.87 | PIK3CA (0.87) | PIK3CA | |
| SCHEMBL15975829 | 0.85 | PIK3CA (0.61) | PIK3CADCTPP1 | |
| SCHEMBL15975816 | 0.84 | PIK3CA (0.63) | PIK3CADYRK1A | |
| SCHEMBL15975841 | 0.83 | PIK3CA (0.88) | PIK3CA | |
| SCHEMBL532338 | 0.83 | PIK3CA (1.00) | PIK3CANPSR1USP2TSHRHSD17B10 | |
| SCHEMBL15975834 | 0.81 | PIK3CA (0.67) | PIK3CADYRK1A | |
| SCHEMBL15975842 | 0.81 | PIK3CA (0.86) | PIK3CATSHRHSD17B10MAPTRAB9A | |
| SCHEMBL15975826 | 0.81 | PIK3CA (0.88) | PIK3CA |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8815918-B2 | Imidazo [2, 1-B] [1, 3, 4] thiadiazole derivatives | CENTRO NACIONAL DE INVESTIGACIONES ONCOLOGICAS (CNIO) (ES) | 2014-08-26 | — | — | US | disclosed |