Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | HDAC3 | O15379 | 3/20 | 0.38 |
| ▸ | HDAC4 | P56524 | 3/20 | 0.38 |
| ▸ | HDAC1 | Q13547 | 3/20 | 0.38 |
| ▸ | HDAC7 | Q8WUI4 | 3/20 | 0.38 |
| ▸ | HDAC2 | Q92769 | 3/20 | 0.38 |
| ▸ | HDAC10 | Q969S8 | 3/20 | 0.38 |
| ▸ | HDAC11 | Q96DB2 | 3/20 | 0.38 |
| ▸ | HDAC8 | Q9BY41 | 3/20 | 0.38 |
| ▸ | HDAC6 | Q9UBN7 | 3/20 | 0.38 |
| ▸ | HDAC9 | Q9UKV0 | 3/20 | 0.38 |
| ▸ | HDAC5 | Q9UQL6 | 3/20 | 0.38 |
| ▸ | EGFR | P00533 | 2/20 | 0.36 |
| ▸ | ERBB2 | P04626 | 2/20 | 0.36 |
| ▸ | MGLL | Q99685 | 2/20 | 0.35 |
| ▸ | BCL9 | O00512 | 1/20 | 0.35 |
| ▸ | CTNNB1 | P35222 | 1/20 | 0.35 |
| ▸ | CTSL | P07711 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL3156654 | 0.80 | MGLL (0.56) | TDP1ALDH1A1HDAC3HDAC4HDAC1 | |
| SCHEMBL28539247 | 0.79 | PRMT5 (0.47) | ALDH1A1HDAC3HDAC4HDAC1HDAC7 | |
| SCHEMBL28550679 | 0.78 | PRMT5 (0.47) | ALDH1A1HDAC3HDAC4HDAC1HDAC7 | |
| SCHEMBL7718007 | 0.74 | BCL9 (0.44) | TDP1ALDH1A1EGFRERBB2BCL9 | |
| SCHEMBL28536151 | 0.74 | KMT2A (0.51) | TDP1ALDH1A1EGFRERBB2BCL9 | |
| SCHEMBL28446845 | 0.69 | BCL9 (0.62) | TDP1ALDH1A1BCL9CTNNB1KMT2A | |
| SCHEMBL9109660 | 0.69 | HTR2A (0.44) | TDP1ALDH1A1KMT2AMEN1MAPT | |
| SCHEMBL29113826 | 0.68 | KMT2A (0.44) | ALDH1A1HDAC3HDAC4HDAC1HDAC7 | |
| SCHEMBL28910177 | 0.67 | ALDH1A1 (0.48) | TDP1ALDH1A1MGLLKMT2AMEN1 | |
| SCHEMBL31233572 | 0.67 | MGLL (0.54) | TDP1ALDH1A1HDAC3HDAC4HDAC1 |
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 |