Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | AR | P10275 | 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 | |
|---|---|---|---|---|
| SCHEMBL19252751 | 0.91 | — | — | |
| SCHEMBL19251514 | 0.86 | MCL1 (0.33) | ALDH1A1MEN1KMT2ASMN1; SMN2AR | |
| SCHEMBL22752565 | 0.85 | CNR2 (0.33) | ALDH1A1MEN1KMT2A | |
| SCHEMBL12459073 | 0.82 | ALDH1A1 (0.35) | ALDH1A1MEN1KMT2ASMN1; SMN2AR | |
| SCHEMBL22752287 | 0.80 | AR (0.31) | ALDH1A1MEN1KMT2ASMN1; SMN2AR | |
| SCHEMBL2169173 | 0.77 | ALDH1A1 (0.50) | ALDH1A1MEN1KMT2ASMN1; SMN2AR | |
| SCHEMBL20089643 | 0.76 | CYP2A6 (0.34) | AR | |
| SCHEMBL22778697 | 0.75 | CNR2 (0.43) | — | |
| SCHEMBL12524698 | 0.73 | CYP2A6 (0.36) | ALDH1A1MEN1KMT2A | |
| SCHEMBL4918585 | 0.71 | NOS3 (0.46) | ALDH1A1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9732083-B2 | Tricyclic gyrase inhibitors | MERCK SHARP & DOHME CORP. (US) | 2017-08-15 | — | — | US | disclosed |