Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | TP53 | P04637 | 1/20 | 0.42 |
| ▸ | GABRP | O00591 | 2/20 | 0.41 |
| ▸ | GABRD | O14764 | 2/20 | 0.41 |
| ▸ | GABRA1 | P14867 | 2/20 | 0.41 |
| ▸ | GABRB1 | P18505 | 2/20 | 0.41 |
| ▸ | GABRG2 | P18507 | 2/20 | 0.41 |
| ▸ | GABRB3 | P28472 | 2/20 | 0.41 |
| ▸ | GABRA5 | P31644 | 2/20 | 0.41 |
| ▸ | GABRA3 | P34903 | 2/20 | 0.41 |
| ▸ | GABRA2 | P47869 | 2/20 | 0.41 |
| ▸ | GABRB2 | P47870 | 2/20 | 0.41 |
| ▸ | GABRA4 | P48169 | 2/20 | 0.41 |
| ▸ | GABRE | P78334 | 2/20 | 0.41 |
| ▸ | GABRA6 | Q16445 | 2/20 | 0.41 |
| ▸ | GABRG1 | Q8N1C3 | 2/20 | 0.41 |
| ▸ | GABRG3 | Q99928 | 2/20 | 0.41 |
| ▸ | GABRQ | Q9UN88 | 2/20 | 0.41 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL5781412 | 0.86 | ALDH1A1 (0.47) | ALDH1A1TP53KDM4ETSHRHAVCR2 | |
| SCHEMBL27541520 | 0.85 | DDT (0.51) | NAPRTALDH1A1AKR1C3AKR1C2AKR1C1 | |
| SCHEMBL979398 | 0.84 | NAPRT (0.47) | NAPRTALDH1A1TP53GABRPGABRD | |
| SCHEMBL29773884 | 0.84 | NAPRT (0.47) | NAPRTALDH1A1TP53GABRPGABRD | |
| SCHEMBL24770862 | 0.83 | POLQ (0.44) | ALDH1A1GABRPGABRDGABRA1GABRB1 | |
| SCHEMBL7112402 | 0.83 | GPBAR1 (0.53) | ALDH1A1GABRPGABRDGABRA1GABRB1 | |
| SCHEMBL29446081 | 0.83 | SMN1; SMN2 (0.47) | NAPRTALDH1A1TP53GABRPGABRD | |
| SCHEMBL625580 | 0.83 | SMN1; SMN2 (0.47) | NAPRTALDH1A1TP53GABRPGABRD | |
| SCHEMBL5778726 | 0.81 | MAP4K4 (0.46) | ALDH1A1CA1CA2DDTSMN1; SMN2 | |
| SCHEMBL5783181 | 0.81 | GPBAR1 (0.53) | ALDH1A1GABRPGABRDGABRA1GABRB1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-117843564-A | Synthesis method of bipyridine dicarboxylic acid compound | 上海毕得医药科技股份有限公司 | 2024-04-09 | — | — | CN | claimed |
| CN-117843564-A | Synthesis method of bipyridine dicarboxylic acid compound | 上海毕得医药科技股份有限公司 | 2024-04-09 | — | — | CN | disclosed |