Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.47 |
| ▸ | HPGD | P15428 | 3/20 | 0.47 |
| ▸ | MAPT | P10636 | 2/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.47 |
| ▸ | PKM | P14618 | 1/20 | 0.47 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.47 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.47 |
| ▸ | MC4R | P32245 | 1/20 | 0.47 |
| ▸ | GAA | P10253 | 2/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | PDE4A | P27815 | 4/20 | 0.38 |
| ▸ | PDE4B | Q07343 | 4/20 | 0.38 |
| ▸ | PDE4C | Q08493 | 4/20 | 0.38 |
| ▸ | PDE4D | Q08499 | 4/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 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 | |
|---|---|---|---|---|
| SCHEMBL2077862 | 1.00 | ALDH1A1 (0.47) | ALDH1A1HPGDMAPTHSD17B10PKM | |
| SCHEMBL2643585 | 0.98 | ALDH1A1 (0.50) | ALDH1A1HPGDMAPTHSD17B10PKM | |
| SCHEMBL10848836 | 0.98 | ALDH1A1 (0.50) | ALDH1A1HPGDMAPTHSD17B10PKM | |
| SCHEMBL24130978 | 0.96 | ALDH1A1 (0.43) | ALDH1A1HPGDMAPTHSD17B10PKM | |
| SCHEMBL30728974 | 0.92 | GAA (0.46) | ALDH1A1HPGDMAPTHSD17B10PKM | |
| SCHEMBL32665351 | 0.84 | HRH1 (0.46) | ALDH1A1HPGDMAPTHSD17B10PKM | |
| SCHEMBL4863817 | 0.84 | GAA (0.40) | ALDH1A1HPGDMAPTHSD17B10PKM | |
| SCHEMBL2184889 | 0.84 | HRH1 (0.46) | ALDH1A1HPGDMAPTHSD17B10PKM | |
| SCHEMBL30137583 | 0.84 | GAA (0.40) | ALDH1A1HPGDMAPTHSD17B10PKM | |
| SCHEMBL9387181 | 0.83 | MEN1 (0.44) | ALDH1A1KMT2ACYP3A4CHRM2 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-116870016-B | Heteroaromatic compound and medical application thereof | 希格生科（深圳）有限公司 | 2024-05-28 | — | — | CN | disclosed |
| CN-117642411-A | Small molecule CD73 antagonists and uses thereof | 西藏海思科制药有限公司 | 2024-03-01 | — | — | CN | disclosed |
| CN-117412981-A | Phosphine oxide derivative and preparation method and application thereof | 希格生科（深圳）有限公司 | 2024-01-16 | — | — | CN | disclosed |
| CN-116870016-A | Heteroaromatic compound and medical application thereof | 希格生科（深圳）有限公司 | 2023-10-13 | — | — | CN | disclosed |
| CN-115785154-A | Heteroaromatic ring compounds and medical use thereof | 希格生科（深圳）有限公司 | 2023-03-14 | — | — | CN | disclosed |
| WO-2022253081-A1 | PHOSPHINE OXIDE DERIVATIVE, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF | 希格生科（深圳）有限公司 | 2022-12-08 | — | — | WO | disclosed |