Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 2/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.37 |
| ▸ | CTSD | P07339 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 2/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
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 | 0.91 | ALDH1A1 (0.48) | ALDH1A1TDP1MEN1KMT2ACYP1A2 | |
| SCHEMBL28910179 | 0.86 | ALDH1A1 (0.45) | ALDH1A1TDP1MEN1KMT2ACYP1A2 | |
| SCHEMBL28538350 | 0.85 | ALDH1A1 (0.38) | ALDH1A1TDP1CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL29113836 | 0.84 | TPSAB1 (0.43) | ALDH1A1MEN1KMT2ARAB9ANPC1 | |
| SCHEMBL28541574 | 0.80 | HDAC3 (0.52) | ALDH1A1TDP1MEN1KMT2AMAPT | |
| SCHEMBL28546971 | 0.80 | ALDH1A1 (0.40) | ALDH1A1TDP1MEN1KMT2ACYP1A2 | |
| SCHEMBL28538471 | 0.80 | CXCR4 (0.48) | ALDH1A1CYP1A2CYP3A4CYP2C19KDM4E | |
| SCHEMBL30541802 | 0.79 | ALDH1A1 (0.46) | ALDH1A1TDP1MEN1KMT2AKDM4E | |
| SCHEMBL28536856 | 0.78 | ALDH1A1 (0.39) | ALDH1A1TDP1CYP1A2CYP3A4CYP2C19 | |
| SCHEMBL28539053 | 0.77 | ALDH1A1 (0.37) | ALDH1A1TDP1MEN1KMT2ACYP1A2 |
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 |