Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACACB | O00763 | 5/20 | 0.39 |
| ▸ | CCR5 | P51681 | 5/20 | 0.39 |
| ▸ | SCD5 | Q86SK9 | 1/20 | 0.38 |
| ▸ | PARP1 | P09874 | 4/20 | 0.38 |
| ▸ | TNKS | O95271 | 2/20 | 0.38 |
| ▸ | TNKS2 | Q9H2K2 | 2/20 | 0.38 |
| ▸ | TACR1 | P25103 | 1/20 | 0.38 |
| ▸ | PDE4A | P27815 | 1/20 | 0.38 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.38 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.38 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.38 |
| ▸ | CYP4F2 | P78329 | 1/20 | 0.38 |
| ▸ | CYP4A11 | Q02928 | 1/20 | 0.38 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.37 |
| ▸ | USP30 | Q70CQ3 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL29383287 | 0.94 | CCR5 (0.42) | ACACBCCR5PARP1TNKSTNKS2 | |
| SCHEMBL23247227 | 0.94 | ACACB (0.40) | ACACBCCR5SCD5PARP1TNKS | |
| SCHEMBL29857484 | 0.94 | ACACB (0.40) | ACACBCCR5SCD5PARP1TNKS | |
| SCHEMBL29858028 | 0.87 | ACACB (0.38) | ACACBCCR5SCD5PARP1TNKS | |
| SCHEMBL23246908 | 0.87 | ACACB (0.38) | ACACBCCR5SCD5PARP1TNKS | |
| SCHEMBL29380976 | 0.85 | CCR5 (0.37) | ACACBCCR5PARP1TNKSTNKS2 | |
| SCHEMBL23246989 | 0.84 | ACACB (0.39) | ACACBCCR5SCD5PARP1TNKS | |
| SCHEMBL23263287 | 0.83 | ACACB (0.32) | ACACBCCR5SCD5PARP1TNKS | |
| SCHEMBL29383285 | 0.81 | ACACB (0.39) | ACACBCCR5PARP1TNKSTNKS2 | |
| SCHEMBL29383510 | 0.79 | ACACB (0.38) | ACACBCCR5SCD5PARP1TNKS |
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 |
|---|---|---|---|---|---|---|---|
| WO-2021074279-A1 | SPIRO-FUSED TRICYCLIC MAP4K1 INHIBITORS | BAYER AKTIENGESELLSCHAFT (DE) | 2021-04-22 | — | — | WO | disclosed |