Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EPHX2 | P34913 | 2/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 2/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | HDAC1 | Q13547 | 3/20 | 0.33 |
| ▸ | HSP90AA1 | P07900 | 2/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 2/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.32 |
| ▸ | FAAH | O00519 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL30541772 | 0.92 | ALDH1A1 (0.39) | ALDH1A1TDP1MAPTKDM4EMEN1 | |
| SCHEMBL29113814 | 0.89 | NPC1 (0.38) | ALDH1A1HDAC1POLBMEN1KMT2A | |
| SCHEMBL29113825 | 0.86 | ALDH1A1 (0.36) | ALDH1A1TDP1MEN1KMT2ACYP1A2 | |
| SCHEMBL29113847 | 0.86 | ALDH1A1 (0.36) | ALDH1A1TDP1MAPTMEN1KMT2A | |
| SCHEMBL28539828 | 0.85 | ALDH1A1 (0.33) | ALDH1A1TDP1MEN1KMT2ACYP1A2 | |
| SCHEMBL29113844 | 0.85 | ALDH1A1 (0.33) | ALDH1A1TDP1MAPTMEN1KMT2A | |
| SCHEMBL29113819 | 0.85 | ALDH1A1 (0.35) | ALDH1A1TDP1MEN1KMT2ACYP1A2 | |
| SCHEMBL28911027 | 0.84 | CXCR4 (0.45) | ALDH1A1TDP1MAPTKDM4EHDAC1 | |
| SCHEMBL29113810 | 0.83 | ALDH1A1 (0.36) | ALDH1A1TDP1MAPTMAPK1 | |
| SCHEMBL29113821 | 0.82 | NPC1 (0.40) | ALDH1A1POLBMEN1KMT2ASMN1; SMN2 |
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 |