Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.46 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.46 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.46 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.45 |
| ▸ | CA1 | P00915 | 2/20 | 0.43 |
| ▸ | CA2 | P00918 | 2/20 | 0.43 |
| ▸ | CA5A | P35218 | 1/20 | 0.43 |
| ▸ | CA9 | Q16790 | 1/20 | 0.43 |
| ▸ | LOX | P28300 | 1/20 | 0.43 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.42 |
| ▸ | HPGD | P15428 | 2/20 | 0.42 |
| ▸ | MAPT | P10636 | 2/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | PRSS1 | P07477 | 2/20 | 0.39 |
| ▸ | PRSS2 | P07478 | 2/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL7513501 | 0.81 | ADORA3 (0.46) | ADORA3ADORA2AADORA2BADORA1CYP2D6 | |
| SCHEMBL5293941 | 0.77 | TXNRD1 (0.43) | CYP2D6CA1CA2CA5ACA9 | |
| SCHEMBL5303795 | 0.77 | LOXL2 (0.48) | ADORA3ADORA2AADORA2BADORA1LOXL2 | |
| SCHEMBL5363871 | 0.76 | PLAU (0.41) | ADORA3ADORA2AADORA2BADORA1CA1 | |
| SCHEMBL11328859 | 0.74 | CYP2D6 (0.48) | ADORA3ADORA2AADORA2BADORA1CYP2D6 | |
| SCHEMBL5306349 | 0.74 | ALDH1A1 (0.43) | CYP2D6ALDH1A1HSD17B10 | |
| SCHEMBL5368484 | 0.72 | SMN1; SMN2 (0.43) | CA1CA2CA5ACA9ALDH1A1 | |
| SCHEMBL9870797 | 0.72 | KMT2A (0.51) | CYP2D6CA1CA2CA5ACA9 | |
| SCHEMBL5298572 | 0.69 | LOXL2 (0.36) | LOXL2ALDH1A1HPGDLMNAKDM4E | |
| SCHEMBL5288067 | 0.69 | LOX (0.34) | LOX |
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 |