Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 3/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | EGFR | P00533 | 5/20 | 0.39 |
| ▸ | ERBB2 | P04626 | 5/20 | 0.39 |
| ▸ | HPGD | P15428 | 4/20 | 0.39 |
| ▸ | ALDH5A1 | P51649 | 1/20 | 0.34 |
| ▸ | ABAT | P80404 | 1/20 | 0.34 |
| ▸ | BCL9 | O00512 | 1/20 | 0.34 |
| ▸ | CTNNB1 | P35222 | 1/20 | 0.34 |
| ▸ | NPC1 | O15118 | 2/20 | 0.34 |
| ▸ | RAB9A | P51151 | 2/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | ALDH3A1 | P30838 | 1/20 | 0.33 |
| ▸ | CYP4F2 | P78329 | 1/20 | 0.33 |
| ▸ | CYP4A11 | Q02928 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL30541770 | 0.79 | NPC1 (0.47) | KMT2AALDH1A1HPGDNPC1RAB9A | |
| SCHEMBL28536759 | 0.74 | TDP1 (0.38) | KMT2AALDH1A1TDP1EGFRERBB2 | |
| SCHEMBL7718007 | 0.73 | BCL9 (0.44) | KMT2AALDH1A1TDP1EGFRERBB2 | |
| SCHEMBL4575571 | 0.72 | ALDH5A1 (0.62) | ALDH1A1EGFRHPGDALDH5A1ABAT | |
| SCHEMBL28910177 | 0.71 | ALDH1A1 (0.48) | KMT2AALDH1A1TDP1RAB9AMAPT | |
| SCHEMBL14575820 | 0.71 | KMT2A (1.00) | KMT2AALDH1A1EGFRERBB2HPGD | |
| SCHEMBL28536136 | 0.70 | MGLL (0.41) | KMT2AALDH1A1TDP1NPC1RAB9A | |
| SCHEMBL30353219 | 0.69 | ALDH1A1 (0.58) | KMT2AALDH1A1TDP1ALDH5A1ABAT | |
| SCHEMBL17922571 | 0.69 | ALDH1A1 (0.58) | KMT2AALDH1A1TDP1ALDH5A1ABAT | |
| SCHEMBL4641512 | 0.69 | KMT2A (0.87) | KMT2AALDH1A1EGFRERBB2HPGD |
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 |