Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.41 |
| ▸ | MAPT | P10636 | 6/20 | 0.41 |
| ▸ | LMNA | P02545 | 5/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 4/20 | 0.41 |
| ▸ | HPGD | P15428 | 3/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.39 |
| ▸ | HTT | P42858 | 2/20 | 0.39 |
| ▸ | GSK3B | P49841 | 6/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL29113858 | 0.86 | ALDH1A1 (0.42) | ALDH1A1MAPTLMNAMAPK1HPGD | |
| SCHEMBL28969702 | 0.82 | PDK1 (0.40) | ALDH1A1LMNAHPGDKMT2AMEN1 | |
| SCHEMBL28542167 | 0.80 | AKR1C4 (0.37) | ALDH1A1MAPTKMT2AMEN1TDP1 | |
| SCHEMBL28536095 | 0.76 | NPC1 (0.38) | ALDH1A1KMT2AHTTSMN1; SMN2POLB | |
| SCHEMBL28530175 | 0.76 | NPC1 (0.40) | ALDH1A1LMNAKMT2AMEN1HTT | |
| SCHEMBL28542182 | 0.75 | MAOB (0.44) | MAPTKMT2AMEN1SMN1; SMN2 | |
| SCHEMBL28539791 | 0.74 | NPC1 (0.39) | ALDH1A1MAPTLMNAMAPK1HPGD | |
| SCHEMBL28551714 | 0.74 | NPC1 (0.39) | ALDH1A1MAPTLMNAMAPK1HPGD | |
| SCHEMBL28541572 | 0.74 | ALDH1A1 (0.41) | ALDH1A1MAPTLMNAMAPK1KMT2A | |
| SCHEMBL28544775 | 0.74 | CXCR4 (0.44) | ALDH1A1HPGDKMT2AMEN1TDP1 |
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-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 |