Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SHBG | P04278 | 1/20 | 0.39 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.30 |
| ▸ | AKR1C2 | P52895 | 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 | |
|---|---|---|---|---|
| SCHEMBL6179366 | 0.86 | SHBG (0.36) | SHBG | |
| SCHEMBL27605597 | 0.81 | SHBG (0.35) | SHBG | |
| SCHEMBL27624488 | 0.81 | SHBG (0.37) | SHBGAKR1C3AKR1C2 | |
| SCHEMBL998053 | 0.80 | CES2 (0.42) | SHBGAKR1C3AKR1C2 | |
| SCHEMBL4063849 | 0.77 | KDM1A (0.33) | SHBG | |
| SCHEMBL1701126 | 0.77 | SHBG (0.50) | SHBG | |
| SCHEMBL8772654 | 0.76 | ESR1 (0.43) | SHBG | |
| SCHEMBL11951576 | 0.76 | LMNA (0.38) | SHBGAKR1C3AKR1C2 | |
| SCHEMBL20722071 | 0.75 | PSEN1 (0.35) | — | |
| SCHEMBL3973135 | 0.75 | PSEN1 (0.35) | — |
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 |