Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | PKM | P14618 | 1/20 | 0.39 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.34 |
| ▸ | S1PR5 | Q9H228 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.32 |
| ▸ | P2RX7 | Q99572 | 2/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
| ▸ | PDCD1 | Q15116 | 3/20 | 0.32 |
| ▸ | CD274 | Q9NZQ7 | 3/20 | 0.32 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.32 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | GRM4 | Q14833 | 1/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.31 |
| ▸ | DRD3 | P35462 | 1/20 | 0.31 |
| ▸ | OPRK1 | P41145 | 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 | |
|---|---|---|---|---|
| SCHEMBL29113813 | 0.84 | S1PR1 (0.36) | ALDH1A1S1PR1S1PR5CYP1A2KDM4E | |
| SCHEMBL28536734 | 0.77 | ALDH1A1 (0.36) | ALDH1A1SMN1; SMN2TDP1PDCD1CD274 | |
| SCHEMBL28539307 | 0.74 | SNCA (0.38) | ALDH1A1CYP1A2SMN1; SMN2TDP1HTT | |
| SCHEMBL30541803 | 0.71 | ALDH1A1 (0.35) | ALDH1A1CYP1A2SMN1; SMN2TDP1HTT | |
| SCHEMBL28910163 | 0.71 | ALDH1A1 (0.35) | ALDH1A1PKMCYP1A2SMN1; SMN2TDP1 | |
| SCHEMBL28531184 | 0.71 | ALDH1A1 (0.37) | ALDH1A1PKMP2RX7KDM4EMAPT | |
| SCHEMBL28539400 | 0.70 | MGLL (0.36) | ALDH1A1PKMSMN1; SMN2HTTPTGS1 | |
| SCHEMBL28538350 | 0.69 | ALDH1A1 (0.38) | ALDH1A1CYP1A2KDM4ETDP1MAPT | |
| SCHEMBL26458399 | 0.68 | SMN1; SMN2 (0.43) | ALDH1A1CYP1A2KDM4ESMN1; SMN2TDP1 | |
| SCHEMBL30541784 | 0.68 | CYP1A2 (0.34) | ALDH1A1S1PR1S1PR5CYP1A2KDM4E |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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 |