Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRM3 | P20309 | 1/20 | 0.47 |
| ▸ | TSHR | P16473 | 2/20 | 0.41 |
| ▸ | SLC6A1 | P30531 | 1/20 | 0.41 |
| ▸ | SLC6A13 | Q9NSD5 | 1/20 | 0.41 |
| ▸ | BLM | P54132 | 2/20 | 0.40 |
| ▸ | GABRP | O00591 | 2/20 | 0.37 |
| ▸ | GABRD | O14764 | 2/20 | 0.37 |
| ▸ | GABRA1 | P14867 | 2/20 | 0.37 |
| ▸ | GABRB1 | P18505 | 2/20 | 0.37 |
| ▸ | GABRG2 | P18507 | 2/20 | 0.37 |
| ▸ | GABRB3 | P28472 | 2/20 | 0.37 |
| ▸ | GABRA5 | P31644 | 2/20 | 0.37 |
| ▸ | GABRA3 | P34903 | 2/20 | 0.37 |
| ▸ | GABRA2 | P47869 | 2/20 | 0.37 |
| ▸ | GABRB2 | P47870 | 2/20 | 0.37 |
| ▸ | GABRA4 | P48169 | 2/20 | 0.37 |
| ▸ | GABRE | P78334 | 2/20 | 0.37 |
| ▸ | GABRA6 | Q16445 | 2/20 | 0.37 |
| ▸ | GABRG1 | Q8N1C3 | 2/20 | 0.37 |
| ▸ | GABRG3 | Q99928 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL3730879 | 0.85 | TSHR (0.55) | CHRM3TSHRBLMGABRPGABRD | |
| SCHEMBL8678911 | 0.80 | CA12 (0.35) | CHRM3GABRA1GABRG2GABRB3GABRA3 | |
| SCHEMBL5390234 | 0.79 | HDAC4 (0.46) | CHRM3BLMGABRA1GABRG2GABRB3 | |
| SCHEMBL16731027 | 0.78 | CHRM3 (0.49) | CHRM3TSHRSLC6A1SLC6A13BLM | |
| SCHEMBL18897326 | 0.77 | HDAC2 (0.47) | CHRM3LMNACXCR2TP53MAPT | |
| SCHEMBL3730876 | 0.74 | CXCR2 (0.34) | GABRA1GABRG2GABRB3GABRA3GABRA2 | |
| SCHEMBL24267232 | 0.73 | CHRM3 (0.34) | CHRM3TSHRSLC6A1SLC6A13BLM | |
| SCHEMBL29439268 | 0.72 | TSHR (0.67) | CHRM3TSHRSLC6A1SLC6A13BLM | |
| SCHEMBL13686499 | 0.72 | CA12 (0.37) | TSHRGABRA1GABRG2GABRB3GABRA3 | |
| SCHEMBL6241212 | 0.71 | HDAC4 (0.41) | TSHRSLC6A1SLC6A13BLMGABRP |
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-2021031952-A1 | OXYGEN-SUBSTITUTED SIX-MEMBERED RING PYRIMIDINE COMPOUND, PREPARATION METHOD AND MEDICAL USE THEREOF | 劲方医药科技(上海)有限公司 | 2021-02-25 | — | — | WO | disclosed |