Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PIK3CA | P42336 | 3/20 | 0.58 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.51 |
| ▸ | HPGD | P15428 | 7/20 | 0.51 |
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.51 |
| ▸ | MAPK1 | P28482 | 5/20 | 0.51 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.51 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.51 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.51 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.51 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.51 |
| ▸ | TSHR | P16473 | 3/20 | 0.50 |
| ▸ | LMNA | P02545 | 3/20 | 0.50 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.50 |
| ▸ | USP2 | O75604 | 1/20 | 0.50 |
| ▸ | DCTPP1 | Q9H773 | 3/20 | 0.48 |
| ▸ | MEN1 | O00255 | 2/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.48 |
| ▸ | SIRT1 | Q96EB6 | 1/20 | 0.46 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.46 |
| ▸ | PKM | P14618 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL532191 | 0.91 | PIK3CA (0.64) | PIK3CAALDH1A1HPGDKDM4EMAPK1 | |
| SCHEMBL532747 | 0.88 | ALDH1A1 (0.64) | PIK3CAALDH1A1HPGDKDM4EMAPK1 | |
| SCHEMBL532054 | 0.81 | PIK3CA (0.52) | PIK3CAALDH1A1HPGDKDM4EMAPK1 | |
| SCHEMBL532199 | 0.81 | ALDH1A1 (0.61) | PIK3CAALDH1A1HPGDKDM4EMAPK1 | |
| SCHEMBL532192 | 0.79 | ALDH1A1 (0.58) | PIK3CAALDH1A1HPGDKDM4EMAPK1 | |
| SCHEMBL532676 | 0.78 | PIK3CA (0.79) | PIK3CAALDH1A1HPGDKDM4EMAPK1 | |
| SCHEMBL532046 | 0.77 | ALDH1A1 (0.50) | PIK3CAALDH1A1HPGDKDM4EMAPK1 | |
| SCHEMBL532634 | 0.77 | KDM4E (0.62) | PIK3CAALDH1A1HPGDKDM4EMAPK1 | |
| SCHEMBL15975822 | 0.75 | PIK3CA (0.80) | PIK3CAALDH1A1HPGDKDM4EMAPK1 | |
| SCHEMBL15975819 | 0.74 | PIK3CA (0.72) | PIK3CAALDH1A1HPGDKDM4EMAPK1 |
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-2414369-A1 | IMIDAZO [2, 1-B][ 1, 3, 4]THIADIAZOLE DERIVATIVES | Centro Nacional de Investigaciones Oncológicas (CNIO) (ES) | 2012-02-08 | — | — | EP | disclosed |
| WO-2010112874-A1 | IMIDAZO [2, 1-B] [ 1, 3, 4 ] THIADIAZOLE DERIVATIVES | CENTRO NACIONAL DE INVESTIGACIONES ONCOLOGICAS (CNIO) (ES) | 2010-10-07 | — | — | WO | disclosed |