Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABCB11 | O95342 | 1/20 | 0.46 |
| ▸ | TRPV3 | Q8NET8 | 1/20 | 0.39 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.39 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.36 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.35 |
| ▸ | PKM | P14618 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL20738580 | 1.00 | ABCB11 (0.46) | ABCB11TRPV3AKR1C3AKR1C2TSHR | |
| SCHEMBL12891909 | 0.84 | ABCB11 (0.49) | ABCB11TRPV3AKR1C3AKR1C2TSHR | |
| SCHEMBL8653020 | 0.84 | ABCB11 (0.49) | ABCB11TRPV3AKR1C3AKR1C2TSHR | |
| SCHEMBL8343177 | 0.82 | ALDH1A1 (0.46) | AKR1C3AKR1C2TSHRALDH1A1HSD17B10 | |
| SCHEMBL8281294 | 0.82 | ALDH1A1 (0.46) | AKR1C3AKR1C2TSHRALDH1A1HSD17B10 | |
| SCHEMBL17086648 | 0.82 | ABCB11 (0.50) | ABCB11ALDH1A1HSD17B10PTGS2PKM | |
| SCHEMBL13862134 | 0.81 | CYP3A4 (0.46) | TRPV3AKR1C3AKR1C2TSHRALDH1A1 | |
| SCHEMBL19055624 | 0.79 | TSHR (0.37) | AKR1C3AKR1C2TSHR | |
| SCHEMBL16950957 | 0.79 | TRPV3 (0.35) | TRPV3AKR1C3AKR1C2TSHRPTGS2 | |
| SCHEMBL5134118 | 0.79 | HTR2A (0.38) | AKR1C3AKR1C2TSHR |
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 |
|---|---|---|---|---|---|---|---|
| EP-4212531-A1 | AZAINDOLE DERIVATIVES AND THEIR USE AS ERK KINASE INHIBITORS | AGV Discovery (FR) | 2023-07-19 | — | — | EP | disclosed |