Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 12/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.39 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 3/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | CASP1 | P29466 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.37 |
| ▸ | HPGD | P15428 | 2/20 | 0.37 |
| ▸ | PKM | P14618 | 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 | |
|---|---|---|---|---|
| SCHEMBL30965257 | 0.94 | MEN1 (0.47) | ALDH1A1KDM4ESMN1; SMN2ADRB2ADRB1 | |
| SCHEMBL30965251 | 0.89 | ALDH1A1 (0.45) | ALDH1A1KDM4ESMN1; SMN2ADRB2ADRB1 | |
| SCHEMBL30965225 | 0.83 | KDM4E (0.46) | ALDH1A1KDM4ESMN1; SMN2ADRB2ADRB1 | |
| SCHEMBL30965237 | 0.83 | HPGD (0.43) | ALDH1A1KDM4ESMN1; SMN2ADRB2ADRB1 | |
| SCHEMBL30965196 | 0.82 | ALDH1A1 (0.39) | ALDH1A1KDM4ESMN1; SMN2ADRB2ADRB1 | |
| SCHEMBL30965205 | 0.80 | ALDH1A1 (0.45) | ALDH1A1KDM4ESMN1; SMN2MEN1KMT2A | |
| SCHEMBL30965216 | 0.78 | KDM4E (0.40) | ALDH1A1KDM4ESMN1; SMN2ADRB2ADRB1 | |
| SCHEMBL30965243 | 0.78 | KDM4E (0.44) | ALDH1A1KDM4ESMN1; SMN2MEN1KMT2A | |
| SCHEMBL30965246 | 0.75 | AKR1B1 (0.47) | ALDH1A1MEN1KMT2AHSD17B10GAA | |
| SCHEMBL30965269 | 0.74 | HSD17B10 (0.52) | ALDH1A1KDM4ESMN1; SMN2MEN1KMT2A |
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-118125964-A | Isoindoline-1, 3-diketone mPGES-1 inhibitor and application thereof | 长江大学 | 2024-06-04 | — | — | CN | disclosed |