Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.49 |
| ▸ | GAA | P10253 | 1/20 | 0.49 |
| ▸ | LMNA | P02545 | 4/20 | 0.45 |
| ▸ | GRM4 | Q14833 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 2/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 3/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | TLR9 | Q9NR96 | 2/20 | 0.34 |
| ▸ | TXNRD1 | Q16881 | 1/20 | 0.33 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.33 |
| ▸ | CXCR5 | P32302 | 1/20 | 0.33 |
| ▸ | APLNR | P35414 | 1/20 | 0.33 |
| ▸ | CCR6 | P51684 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL5301629 | 0.75 | KMT2A (0.41) | ALDH1A1GRM4NPSR1CYP3A4CYP2D6 | |
| SCHEMBL5290581 | 0.75 | PLCG1 (0.47) | ALDH1A1LMNAGRM4NPSR1CYP3A4 | |
| SCHEMBL5295830 | 0.75 | L3MBTL1 (0.32) | TXNRD1 | |
| SCHEMBL5298171 | 0.74 | TXNRD1 (0.45) | ALDH1A1LMNAGRM4NPSR1CYP1A2 | |
| SCHEMBL5303247 | 0.74 | CYP2A6 (0.37) | HTT | |
| SCHEMBL5306337 | 0.73 | TXNRD1 (0.49) | ALDH1A1LMNAGRM4TXNRD1TP53 | |
| SCHEMBL5295817 | 0.73 | CDC25A (0.45) | ALDH1A1GAALMNANPC1MEN1 | |
| SCHEMBL5297846 | 0.73 | AR (0.45) | LMNANPC1MEN1KMT2ARAB9A | |
| SCHEMBL5290295 | 0.70 | MRGPRX4 (0.43) | MEN1KMT2ARAB9ATP53HTT | |
| SCHEMBL5293863 | 0.70 | AKR1B1 (0.46) | GAALMNAGRM4MEN1KMT2A |
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 |
|---|---|---|---|---|---|---|---|
| WO-2007012724-A1 | 1,2,4-THIADIAZOLE DERIVATIVES ANTIFUNGAL COMPOUNDS, COMPOSITIONS CONTAINING SAID COMPOUNDS AND THE USE THEREOF | CYTOMICS SYSTEMS (FR) | 2007-02-01 | — | — | WO | claimed |
| WO-2007012724-A1 | 1,2,4-THIADIAZOLE DERIVATIVES ANTIFUNGAL COMPOUNDS, COMPOSITIONS CONTAINING SAID COMPOUNDS AND THE USE THEREOF | CYTOMICS SYSTEMS (FR) | 2007-02-01 | — | — | WO | disclosed |