Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.49 |
| ▸ | GAA | P10253 | 1/20 | 0.49 |
| ▸ | GFER | P55789 | 1/20 | 0.49 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.49 |
| ▸ | CYP4F2 | P78329 | 1/20 | 0.46 |
| ▸ | CYP4A11 | Q02928 | 1/20 | 0.46 |
| ▸ | SLC7A5 | Q01650 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 2/20 | 0.42 |
| ▸ | HPGD | P15428 | 2/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | HPGDS | O60760 | 1/20 | 0.42 |
| ▸ | ALDH2 | P05091 | 4/20 | 0.40 |
| ▸ | BRD4 | O60885 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.39 |
| ▸ | NPC1 | O15118 | 2/20 | 0.39 |
| ▸ | RAB9A | P51151 | 2/20 | 0.39 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.39 |
| ▸ | PKM | P14618 | 1/20 | 0.39 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.39 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL22230129 | 0.83 | PTPN1 (0.43) | ALDH1A1TSHRHPGDMAPTHPGDS | |
| SCHEMBL4161939 | 0.83 | SMN1; SMN2 (0.49) | ALDH1A1GAACYP4F2CYP4A11HPGD | |
| SCHEMBL4604293 | 0.77 | CA2 (0.44) | ALDH1A1ALDH2NSD2ABL1PPARG | |
| SCHEMBL16180236 | 0.76 | HDAC1 (0.53) | ALDH1A1GAAGFERHSP90AB1CYP4F2 | |
| SCHEMBL11976503 | 0.76 | NLRP3 (0.53) | ALDH1A1GAAGFERHSP90AB1CYP4F2 | |
| SCHEMBL22230057 | 0.74 | HPGDS (0.39) | HPGDSALDH2NSD2ABL1PPARG | |
| SCHEMBL5739617 | 0.74 | CYP4F2 (0.51) | ALDH1A1GAAGFERHSP90AB1CYP4F2 | |
| SCHEMBL18460841 | 0.74 | NSD2 (0.36) | HPGDSALDH2NSD2ABL1PPARG | |
| SCHEMBL12400239 | 0.74 | SLC7A5 (0.68) | ALDH1A1GAAGFERHSP90AB1CYP4F2 | |
| SCHEMBL8168734 | 0.73 | CYP4A11 (0.43) | ALDH1A1GAACYP4F2CYP4A11HPGD |
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-111819181-A | Benzo-seven-membered heterocyclic compound, preparation method, pharmaceutical composition and application thereof | 罗欣药业(上海)有限公司 | 2020-10-23 | — | — | CN | disclosed |
| WO-2019214399-A1 | BENZO- SEVEN-MEMBERED HETEROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION THEREOF, AND APPLICATION THEREOF | 罗欣药业(上海)有限公司 (CN) | 2019-11-14 | — | — | WO | disclosed |
| WO-2019214399-A1 | BENZO- SEVEN-MEMBERED HETEROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION THEREOF, AND APPLICATION THEREOF | 罗欣药业(上海)有限公司 (CN) | 2019-11-14 | — | — | WO | disclosed |