Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 1/20 | 0.37 |
| ▸ | PLAU | P00749 | 3/20 | 0.33 |
| ▸ | PLG | P00747 | 1/20 | 0.33 |
| ▸ | MMP1 | P03956 | 1/20 | 0.32 |
| ▸ | MMP13 | P45452 | 1/20 | 0.32 |
| ▸ | ADAM17 | P78536 | 1/20 | 0.32 |
| ▸ | F12 | P00748 | 1/20 | 0.31 |
| ▸ | NCF1 | P14598 | 1/20 | 0.31 |
| ▸ | NOS3 | P29474 | 1/20 | 0.31 |
| ▸ | NOS1 | P29475 | 1/20 | 0.31 |
| ▸ | NOS2 | P35228 | 1/20 | 0.31 |
| ▸ | BACE1 | P56817 | 1/20 | 0.31 |
| ▸ | EGFR | P00533 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.30 |
| ▸ | CASP3 | P42574 | 1/20 | 0.30 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.30 |
| ▸ | TUBB4A | P04350 | 1/20 | 0.30 |
| ▸ | TUBB | P07437 | 1/20 | 0.30 |
| ▸ | TUBA3C | P0DPH7 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL5363871 | 0.83 | PLAU (0.41) | CYP2A6PLAUPLGF12NCF1 | |
| SCHEMBL5293941 | 0.77 | TXNRD1 (0.43) | HTT | |
| SCHEMBL28239901 | 0.74 | CYP2A6 (0.47) | CYP2A6PLAUPLGMMP1MMP13 | |
| SCHEMBL5290607 | 0.74 | ALDH1A1 (0.49) | HTT | |
| SCHEMBL5369139 | 0.71 | L3MBTL1 (0.47) | MMP13SMN1; SMN2HTT | |
| SCHEMBL5301629 | 0.71 | KMT2A (0.41) | MMP1ADAM17SMN1; SMN2 | |
| SCHEMBL5297846 | 0.71 | AR (0.45) | SMN1; SMN2 | |
| SCHEMBL5295830 | 0.70 | L3MBTL1 (0.32) | — | |
| SCHEMBL5290581 | 0.70 | PLCG1 (0.47) | MMP1MMP13SMN1; SMN2HTT | |
| SCHEMBL5288284 | 0.70 | TXNRD1 (0.47) | SMN1; SMN2HTT |
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 |