Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.47 |
| ▸ | RAB9A | P51151 | 7/20 | 0.47 |
| ▸ | NPC1 | O15118 | 6/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 9/20 | 0.45 |
| ▸ | HPGD | P15428 | 3/20 | 0.41 |
| ▸ | MAPT | P10636 | 3/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.41 |
| ▸ | GAA | P10253 | 2/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | CASP1 | P29466 | 1/20 | 0.41 |
| ▸ | CASP7 | P55210 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | DRD2 | P14416 | 2/20 | 0.40 |
| ▸ | HTR2A | P28223 | 2/20 | 0.40 |
| ▸ | TSHR | P16473 | 3/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | CASP3 | P42574 | 1/20 | 0.36 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.36 |
| ▸ | SENP7 | Q9BQF6 | 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 | |
|---|---|---|---|---|
| SCHEMBL29253094 | 1.00 | ALDH1A1 (0.47) | ALDH1A1RAB9ANPC1SMN1; SMN2HPGD | |
| SCHEMBL29253017 | 0.91 | ALDH1A1 (0.47) | ALDH1A1RAB9ANPC1SMN1; SMN2HPGD | |
| SCHEMBL30978245 | 0.86 | ALDH1A1 (0.42) | ALDH1A1RAB9ANPC1SMN1; SMN2HPGD | |
| SCHEMBL29253037 | 0.86 | ALDH1A1 (0.42) | ALDH1A1RAB9ANPC1SMN1; SMN2HPGD | |
| SCHEMBL30978253 | 0.83 | ALDH1A1 (0.47) | ALDH1A1RAB9ANPC1SMN1; SMN2HPGD | |
| SCHEMBL29253038 | 0.83 | ALDH1A1 (0.47) | ALDH1A1RAB9ANPC1SMN1; SMN2HPGD | |
| SCHEMBL30978249 | 0.83 | ALDH1A1 (0.46) | ALDH1A1SMN1; SMN2HPGDMAPTKDM4E | |
| SCHEMBL30978233 | 0.82 | ALDH1A1 (0.46) | ALDH1A1SMN1; SMN2HPGDMAPTKDM4E | |
| SCHEMBL30978251 | 0.81 | ALDH1A1 (0.41) | ALDH1A1RAB9ANPC1SMN1; SMN2HPGD | |
| SCHEMBL29253123 | 0.81 | ALDH1A1 (0.41) | ALDH1A1RAB9ANPC1SMN1; SMN2HPGD |
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-118290443-A | Chromone heterocyclic compound, and preparation method and application thereof | 中国科学院上海药物研究所 | 2024-07-05 | — | — | CN | disclosed |