Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.49 |
| ▸ | HPGD | P15428 | 2/20 | 0.49 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.49 |
| ▸ | LMNA | P02545 | 5/20 | 0.47 |
| ▸ | MAPT | P10636 | 6/20 | 0.46 |
| ▸ | MEN1 | O00255 | 3/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.46 |
| ▸ | HTT | P42858 | 2/20 | 0.46 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.46 |
| ▸ | GAA | P10253 | 1/20 | 0.46 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.44 |
| ▸ | NPC1 | O15118 | 2/20 | 0.44 |
| ▸ | RAB9A | P51151 | 2/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL26456319 | 0.84 | ALDH1A1 (0.52) | ALDH1A1SMN1; SMN2HPGDHSP90AA1LMNA | |
| SCHEMBL28539247 | 0.84 | PRMT5 (0.47) | ALDH1A1SMN1; SMN2HPGDHSP90AA1LMNA | |
| SCHEMBL28550679 | 0.83 | PRMT5 (0.47) | ALDH1A1SMN1; SMN2HPGDHSP90AA1LMNA | |
| SCHEMBL31495856 | 0.78 | PDK1 (0.50) | ALDH1A1SMN1; SMN2HPGDHSP90AA1LMNA | |
| SCHEMBL18622518 | 0.78 | CA12 (0.48) | ALDH1A1SMN1; SMN2HPGDHSP90AA1LMNA | |
| SCHEMBL28728486 | 0.77 | ALDH1A1 (0.45) | ALDH1A1SMN1; SMN2HPGDHSP90AA1LMNA | |
| SCHEMBL28541709 | 0.76 | ALDH1A1 (0.47) | ALDH1A1SMN1; SMN2HPGDHSP90AA1LMNA | |
| SCHEMBL28536158 | 0.76 | CYP19A1 (0.45) | ALDH1A1SMN1; SMN2HPGDHSP90AA1LMNA | |
| SCHEMBL28538507 | 0.76 | MAPT (0.60) | ALDH1A1SMN1; SMN2HPGDLMNAMAPT | |
| SCHEMBL13286800 | 0.75 | ALDH1A1 (0.56) | ALDH1A1SMN1; SMN2HPGDHSP90AA1LMNA |
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-112574089-B | Photo-induced multifunctional crosslinking agent, preparation method and application thereof | 中国科学院上海药物研究所 | 2023-09-05 | — | — | CN | disclosed |
| CN-112574089-A | Photoinduced multifunctional cross-linking agent, and preparation method and application thereof | 中国科学院上海药物研究所 | 2021-03-30 | — | — | CN | disclosed |