Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 2/20 | 0.34 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.33 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.33 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.33 |
| ▸ | SLC9A1 | P19634 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 2/20 | 0.33 |
| ▸ | MAPT | P10636 | 2/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | DHFR | P00374 | 1/20 | 0.32 |
| ▸ | MAOA | P21397 | 1/20 | 0.32 |
| ▸ | MAOB | P27338 | 1/20 | 0.32 |
| ▸ | CYP4F2 | P78329 | 1/20 | 0.32 |
| ▸ | CYP4A11 | Q02928 | 1/20 | 0.32 |
| ▸ | RIPK1 | Q13546 | 2/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL6180538 | 0.84 | KDM4C (0.34) | BACE1LMNAMAPTKDM4ETP53 | |
| SCHEMBL8205755 | 0.83 | TRPA1 (0.43) | BACE1LMNAGAAMAPTKDM4E | |
| SCHEMBL6184532 | 0.81 | DHFR (0.41) | BACE1LMNAMAPTMAPK1DHFR | |
| SCHEMBL14402511 | 0.79 | BACE1 (0.40) | BACE1LMNASLC9A1GAAMAPT | |
| SCHEMBL896163 | 0.79 | HTT (0.42) | HTTMAOAMAOBRIPK1 | |
| SCHEMBL31422474 | 0.78 | SRC (0.39) | LMNAGAAMAPTKDM4EHTT | |
| SCHEMBL2370050 | 0.78 | DAO (0.45) | — | |
| SCHEMBL8055086 | 0.78 | BACE1 (0.39) | BACE1LMNASLC9A1GAAMAPT | |
| SCHEMBL3690355 | 0.78 | BACE1 (0.47) | BACE1SLC9A1GAADHFRMAOB | |
| SCHEMBL13617385 | 0.78 | CYP4F2 (0.51) | BACE1LMNASLC9A1GAAMAPT |
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-1507530-A1 | DIAMINOTHIAZOLES | F. HOFFMANN-LA ROCHE AG (CH) | 2005-02-23 | — | — | EP | disclosed |
| WO-2003097048-A1 | DIAMINOTHIAZOLES | F. HOFFMANN-LA ROCHE AG (CH) | 2003-11-27 | — | — | WO | disclosed |