Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACACB | O00763 | 13/20 | 0.53 |
| ▸ | ACACA | Q13085 | 9/20 | 0.53 |
| ▸ | SCN9A | Q15858 | 3/20 | 0.43 |
| ▸ | SCN5A | Q14524 | 2/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL4343475 | 0.85 | DAO (0.46) | ACACBACACASCN9A | |
| SCHEMBL20133043 | 0.78 | ACACB (0.43) | ACACBACACASCN9ASCN5AALDH1A1 | |
| SCHEMBL10483933 | 0.78 | ACACB (0.44) | ACACBACACASCN9ASCN5AALDH1A1 | |
| SCHEMBL21933970 | 0.78 | ACACB (0.43) | ACACBACACASCN9ASCN5AALDH1A1 | |
| SCHEMBL4327907 | 0.76 | ADH1B (0.43) | ACACBACACA | |
| SCHEMBL5547197 | 0.76 | ALDH1A3 (0.52) | ACACBALDH1A1 | |
| SCHEMBL6468241 | 0.75 | ALDH1A1 (0.46) | ACACBACACAALDH1A1 | |
| SCHEMBL4330051 | 0.75 | L3MBTL1 (0.49) | SCN9A | |
| SCHEMBL27792451 | 0.74 | ACACB (0.45) | ACACBACACASCN9ASCN5AALDH1A1 | |
| SCHEMBL21994583 | 0.74 | ALDH1A1 (0.45) | ACACBACACASCN9ASCN5AALDH1A1 |
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-2009145720-A1 | ISOINDOLINE DERIVATIVES COMPRISING ADDITIONAL HETEROCYCLIC GROUPS AND THEIR USE IN THE TREATMENT OF PAIN DISORDERS | ASTRAZENECA AB (SE) | 2009-12-03 | — | — | WO | disclosed |
| WO-2009145720-A1 | ISOINDOLINE DERIVATIVES COMPRISING ADDITIONAL HETEROCYCLIC GROUPS AND THEIR USE IN THE TREATMENT OF PAIN DISORDERS | ASTRAZENECA AB (SE) | 2009-12-03 | — | — | WO | disclosed |