Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.45 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 4/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.40 |
| ▸ | MAPT | P10636 | 3/20 | 0.40 |
| ▸ | FAAH | O00519 | 1/20 | 0.39 |
| ▸ | MGLL | Q99685 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 2/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | ATM | Q13315 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 3/20 | 0.37 |
| ▸ | PDCD1 | Q15116 | 1/20 | 0.37 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL28910177 | 0.95 | ALDH1A1 (0.48) | ALDH1A1TDP1CYP1A2MEN1KMT2A | |
| SCHEMBL28538358 | 0.86 | ALDH1A1 (0.42) | ALDH1A1TDP1CYP1A2MEN1KMT2A | |
| SCHEMBL30323002 | 0.85 | CYP1A2 (0.43) | ALDH1A1TDP1CYP1A2MEN1KMT2A | |
| SCHEMBL28546971 | 0.83 | ALDH1A1 (0.40) | ALDH1A1TDP1CYP1A2MEN1KMT2A | |
| SCHEMBL30541772 | 0.82 | ALDH1A1 (0.39) | ALDH1A1TDP1CYP1A2MEN1KMT2A | |
| SCHEMBL28539053 | 0.81 | ALDH1A1 (0.37) | ALDH1A1TDP1CYP1A2MEN1KMT2A | |
| SCHEMBL28530188 | 0.80 | MGLL (0.40) | ALDH1A1TDP1MEN1KMT2AMAPT | |
| SCHEMBL28536136 | 0.80 | MGLL (0.41) | ALDH1A1TDP1MEN1KMT2AMAPT | |
| SCHEMBL28550635 | 0.80 | ALDH1A1 (0.39) | ALDH1A1TDP1CYP1A2MEN1KMT2A | |
| SCHEMBL28536856 | 0.79 | ALDH1A1 (0.39) | ALDH1A1TDP1CYP1A2MAPTLMNA |
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 |