Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | CCR5 | P51681 | 1/20 | 0.35 |
| ▸ | PBK | Q96KB5 | 3/20 | 0.35 |
| ▸ | HTR2A | P28223 | 1/20 | 0.34 |
| ▸ | HRH1 | P35367 | 1/20 | 0.34 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.34 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.34 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL25853238 | 0.86 | AKR1C3 (0.40) | CCR5PBKHTR2AHRH1AOC3 | |
| SCHEMBL26901678 | 0.85 | PDPK1 (0.39) | CCR5HTR2AHRH1AOC3TDP1 | |
| SCHEMBL25852510 | 0.83 | HTR2A (0.38) | PBKHTR2AHRH1AOC3TDP1 | |
| SCHEMBL25833169 | 0.81 | PARP1 (0.42) | HTR2AHRH1AOC3TDP1 | |
| SCHEMBL25833224 | 0.81 | AOC3 (0.33) | PBKHTR2AHRH1AOC3TDP1 | |
| SCHEMBL8343177 | 0.79 | ALDH1A1 (0.46) | TSHRAKR1C3AKR1C2 | |
| SCHEMBL8281294 | 0.79 | ALDH1A1 (0.46) | TSHRAKR1C3AKR1C2 | |
| SCHEMBL20738580 | 0.78 | ABCB11 (0.46) | TSHRAKR1C3AKR1C2 | |
| SCHEMBL25857177 | 0.78 | ABCB11 (0.46) | TSHRAKR1C3AKR1C2 | |
| SCHEMBL5134118 | 0.76 | HTR2A (0.38) | TSHRHTR2AAKR1C3AKR1C2 |
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-2023135233-A1 | AZAINDOLE DERIVATIVES AND THEIR USE AS ERK KINASE INHIBITORS | AGV DISCOVERY (FR) | 2023-07-20 | — | — | WO | disclosed |