Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH4 | Q9H3N8 | 3/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.38 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.37 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.37 |
| ▸ | CHUK | O15111 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 2/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | MAP4K1 | Q92918 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
| ▸ | TP53 | P04637 | 2/20 | 0.31 |
| ▸ | CD44 | P16070 | 1/20 | 0.31 |
| ▸ | SLC9A1 | P19634 | 1/20 | 0.30 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.30 |
| ▸ | GAA | P10253 | 1/20 | 0.30 |
| ▸ | HPGD | P15428 | 1/20 | 0.30 |
| ▸ | LMNA | P02545 | 1/20 | 0.30 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL1757169 | 0.79 | HRH4 (0.43) | HRH4CYP3A4CHUKTSHRALDH1A1 | |
| SCHEMBL14115020 | 0.79 | HRH4 (0.45) | HRH4CYP2A6KEAP1ALDH1A1SMN1; SMN2 | |
| SCHEMBL1758003 | 0.76 | HRH4 (0.46) | HRH4HTTCYP1A2GAAHPGD | |
| SCHEMBL28796378 | 0.76 | CYP2A6 (0.37) | CYP3A4CYP2A6KEAP1TSHRMAP4K1 | |
| SCHEMBL21235450 | 0.76 | XDH (0.36) | HRH4HTTCYP1A2GAAHPGD | |
| SCHEMBL28113979 | 0.73 | HRH4 (0.43) | HRH4CYP3A4CYP2A6CHUKTSHR | |
| SCHEMBL28359192 | 0.71 | PDE4A (0.39) | CYP2A6KEAP1CHUKALDH1A1ALOX15 | |
| SCHEMBL5188098 | 0.71 | AKR1C4 (0.42) | HRH4CYP3A4ALDH1A1ALOX15TP53 | |
| SCHEMBL17865579 | 0.71 | HRH4 (0.58) | HRH4CYP3A4TSHRALDH1A1ALOX15 | |
| SCHEMBL8349472 | 0.70 | ALOX15 (0.56) | HRH4ALDH1A1ALOX15SMN1; SMN2HTT |
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-118359634-A | Pyrazole derivative and medical use thereof | 正大天晴药业集团股份有限公司 | 2024-07-19 | — | — | CN | disclosed |