Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 4/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | GLA | P06280 | 2/20 | 0.41 |
| ▸ | ABL1 | P00519 | 1/20 | 0.41 |
| ▸ | CFTR | P13569 | 2/20 | 0.40 |
| ▸ | NQO2 | P16083 | 6/20 | 0.40 |
| ▸ | MAPT | P10636 | 2/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | ATR | Q13535 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | CASP1 | P29466 | 1/20 | 0.36 |
| ▸ | CASP7 | P55210 | 1/20 | 0.36 |
| ▸ | ATM | Q13315 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL28981135 | 1.00 | TSHR (0.42) | TSHRGAAKDM4EALDH1A1GLA | |
| SCHEMBL7411789 | 0.85 | TSHR (0.46) | TSHRGAAKDM4EALDH1A1GLA | |
| SCHEMBL23053815 | 0.83 | TSHR (0.45) | TSHRGAAKDM4EALDH1A1GLA | |
| SCHEMBL31552179 | 0.83 | NPC1 (0.48) | KDM4EALDH1A1MAPTHSD17B10HPGD | |
| SCHEMBL23043656 | 0.81 | TSHR (0.42) | TSHRGAAKDM4EALDH1A1GLA | |
| SCHEMBL30391898 | 0.81 | TSHR (0.42) | TSHRGAAKDM4EALDH1A1GLA | |
| SCHEMBL25239223 | 0.77 | TSHR (0.42) | TSHRGAAKDM4EALDH1A1GLA | |
| SCHEMBL31140734 | 0.77 | TSHR (0.42) | TSHRGAAKDM4EALDH1A1GLA | |
| SCHEMBL31523457 | 0.76 | MAPT (0.39) | TSHRGAAKDM4EALDH1A1GLA | |
| SCHEMBL19134228 | 0.75 | TSHR (0.46) | TSHRGAAKDM4EALDH1A1GLA |
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 |
|---|---|---|---|---|---|---|---|
| CN-115894481-A | Nitrogen-containing heteroaryl compound, preparation method and medical application thereof | 江苏恒瑞医药股份有限公司 | 2023-04-04 | — | — | CN | disclosed |