Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PIK3CA | P42336 | 6/20 | 0.80 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.53 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.53 |
| ▸ | MAPK1 | P28482 | 5/20 | 0.53 |
| ▸ | TSHR | P16473 | 3/20 | 0.53 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.53 |
| ▸ | LMNA | P02545 | 2/20 | 0.53 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.53 |
| ▸ | USP2 | O75604 | 1/20 | 0.53 |
| ▸ | DCTPP1 | Q9H773 | 3/20 | 0.51 |
| ▸ | MEN1 | O00255 | 2/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.51 |
| ▸ | HPGD | P15428 | 6/20 | 0.48 |
| ▸ | SIRT1 | Q96EB6 | 1/20 | 0.48 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.48 |
| ▸ | PKM | P14618 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL532475 | 0.91 | PIK3CA (0.77) | PIK3CAALDH1A1KDM4EMAPK1TSHR | |
| SCHEMBL532676 | 0.91 | PIK3CA (0.79) | PIK3CAALDH1A1KDM4EMAPK1TSHR | |
| SCHEMBL532925 | 0.89 | PIK3CA (1.00) | PIK3CAALDH1A1KDM4EMAPK1TSHR | |
| SCHEMBL533090 | 0.88 | PIK3CA (0.79) | PIK3CAALDH1A1KDM4EMAPK1TSHR | |
| SCHEMBL533117 | 0.86 | PIK3CA (0.76) | PIK3CAALDH1A1KDM4EMAPK1TSHR | |
| SCHEMBL15975819 | 0.86 | PIK3CA (0.72) | PIK3CAALDH1A1KDM4EMAPK1TSHR | |
| SCHEMBL15975811 | 0.85 | PIK3CA (0.71) | PIK3CAALDH1A1KDM4EMAPK1TSHR | |
| SCHEMBL532153 | 0.84 | PIK3CA (0.72) | PIK3CAALDH1A1KDM4EMAPK1TSHR | |
| SCHEMBL15975807 | 0.82 | PIK3CA (0.70) | PIK3CAALDH1A1KDM4EMAPK1TSHR | |
| SCHEMBL532283 | 0.82 | PIK3CA (0.67) | PIK3CAALDH1A1KDM4EMAPK1TSHR |
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 |