Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.47 |
| ▸ | MAPT | P10636 | 4/20 | 0.47 |
| ▸ | PKM | P14618 | 2/20 | 0.47 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.44 |
| ▸ | HPGD | P15428 | 3/20 | 0.44 |
| ▸ | HTT | P42858 | 3/20 | 0.44 |
| ▸ | GAA | P10253 | 2/20 | 0.44 |
| ▸ | LMNA | P02545 | 2/20 | 0.44 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.44 |
| ▸ | NMUR2 | Q9GZQ4 | 2/20 | 0.41 |
| ▸ | NPC1 | O15118 | 3/20 | 0.41 |
| ▸ | RAB9A | P51151 | 3/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.41 |
| ▸ | PPARG | P37231 | 1/20 | 0.41 |
| ▸ | PPARD | Q03181 | 1/20 | 0.41 |
| ▸ | PPARA | Q07869 | 1/20 | 0.41 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.38 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL28990318 | 0.86 | PTPN1 (0.61) | ALDH1A1MAPTPTPN1KDM4EHTT | |
| SCHEMBL29125477 | 0.85 | PTPN1 (0.39) | ALDH1A1MAPTPKMPTPN1KDM4E | |
| SCHEMBL28990297 | 0.81 | CYP11B1 (0.54) | ALDH1A1MAPTPKMPTPN1KDM4E | |
| SCHEMBL30715535 | 0.81 | CYP11B1 (0.54) | ALDH1A1MAPTPKMPTPN1KDM4E | |
| SCHEMBL28477936 | 0.79 | ALDH1A1 (0.47) | ALDH1A1MAPTPKMPTPN1KDM4E | |
| SCHEMBL28990327 | 0.79 | ALDH1A1 (0.47) | ALDH1A1MAPTPKMPTPN1KDM4E | |
| SCHEMBL19182133 | 0.76 | PTPN1 (0.77) | ALDH1A1MAPTPKMPTPN1KDM4E | |
| SCHEMBL29529294 | 0.76 | PTPN1 (0.77) | ALDH1A1MAPTPKMPTPN1KDM4E | |
| SCHEMBL21591484 | 0.75 | MAPT (0.44) | ALDH1A1MAPTPKMPTPN1KDM4E | |
| SCHEMBL19182258 | 0.75 | ALDH1A1 (0.44) | ALDH1A1MAPTPKMPTPN1KDM4E |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-115991695-B | Method for preparing 3-fluorochromanone by metal-free catalytic hydrogenation | 中国科学院化学研究所 | 2024-06-21 | — | — | CN | disclosed |
| CN-117126126-A | Method for asymmetrically synthesizing adjacent halohydrin compound | 凯特立斯（深圳）科技有限公司 | 2023-11-28 | — | — | CN | disclosed |
| CN-115991695-A | Method for preparing 3-fluorochromanone by metal-free catalytic hydrogenation | 中国科学院化学研究所 | 2023-04-21 | — | — | CN | disclosed |