Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.47 |
| ▸ | MYC | P01106 | 3/20 | 0.44 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.44 |
| ▸ | HPGD | P15428 | 3/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.44 |
| ▸ | THRB | P10828 | 2/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.44 |
| ▸ | ATIC | P31939 | 1/20 | 0.44 |
| ▸ | NR4A1 | P22736 | 1/20 | 0.44 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.44 |
| ▸ | NR4A3 | Q92570 | 1/20 | 0.44 |
| ▸ | PRNP | P04156 | 1/20 | 0.42 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.42 |
| ▸ | MEN1 | O00255 | 4/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.42 |
| ▸ | AKR1B10 | O60218 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL18936275 | 1.00 | ALDH1A1 (0.47) | ALDH1A1MYCALOX15HPGDHSD17B10 | |
| SCHEMBL10551727 | 0.84 | MAPT (0.47) | ALDH1A1HPGDHSD17B10RXFP1KDM4E | |
| SCHEMBL5337894 | 0.82 | ALDH1A1 (0.50) | ALDH1A1MYCALOX15HPGDHSD17B10 | |
| SCHEMBL7596065 | 0.82 | THRB (0.67) | ALDH1A1MYCALOX15HPGDHSD17B10 | |
| SCHEMBL10343413 | 0.82 | HSD17B10 (0.67) | ALDH1A1HPGDHSD17B10CYP2C9THRB | |
| SCHEMBL28650743 | 0.79 | ALDH1A1 (0.46) | ALDH1A1MYCHPGDHSD17B10CYP2C9 | |
| SCHEMBL5235427 | 0.79 | ALDH1A1 (0.48) | ALDH1A1MYCALOX15HPGDHSD17B10 | |
| SCHEMBL18936303 | 0.78 | KDM4E (0.50) | ALDH1A1MYCHPGDHSD17B10CYP2C9 | |
| SCHEMBL30218700 | 0.78 | KDM4E (0.50) | ALDH1A1MYCHPGDHSD17B10CYP2C9 | |
| SCHEMBL27966955 | 0.75 | HTT (0.58) | ALDH1A1HPGDHSD17B10CYP2C9TSHR |
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-108699003-B | Catalytic hydrogenation process for preparing pyrazoles | 巴斯夫欧洲公司 | 2023-02-03 | — | — | CN | disclosed |