Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | SOS1 | Q07889 | 1/20 | 0.31 |
| ▸ | FAAH | O00519 | 1/20 | 0.30 |
| ▸ | CA1 | P00915 | 1/20 | 0.30 |
| ▸ | CA2 | P00918 | 1/20 | 0.30 |
| ▸ | LMNA | P02545 | 1/20 | 0.30 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.30 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.30 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.30 |
| ▸ | HPGD | P15428 | 1/20 | 0.30 |
| ▸ | TSHR | P16473 | 1/20 | 0.30 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.30 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.30 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.30 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.30 |
| ▸ | HTR2C | P28335 | 1/20 | 0.30 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.30 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.30 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.30 |
| ▸ | HTR2B | P41595 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL21132602 | 1.00 | ALDH1A1 (0.37) | ALDH1A1SOS1FAAHCA1CA2 | |
| SCHEMBL6314176 | 0.79 | GABRA1 (0.46) | ALDH1A1FAAHCA1CA2LMNA | |
| SCHEMBL6891458 | 0.79 | ALDH1A1 (0.39) | ALDH1A1FAAHCA1CA2LMNA | |
| SCHEMBL30657429 | 0.79 | GABRA1 (0.46) | ALDH1A1FAAHCA1CA2LMNA | |
| SCHEMBL17369378 | 0.79 | — | — | |
| SCHEMBL16955883 | 0.76 | ADRA2A (0.43) | ALDH1A1FAAHCA1CA2LMNA | |
| SCHEMBL23526278 | 0.76 | CYP3A4 (0.45) | ALDH1A1FAAHCA1CA2LMNA | |
| SCHEMBL16962051 | 0.76 | ALDH1A1 (0.36) | ALDH1A1SOS1FAAHCA1CA2 | |
| SCHEMBL30014285 | 0.76 | CYP3A4 (0.45) | ALDH1A1FAAHCA1CA2LMNA | |
| SCHEMBL15320312 | 0.76 | CYP3A4 (0.45) | ALDH1A1FAAHCA1CA2LMNA |
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-117580836-A | Pyrimidine ring structure derivative and application thereof | 四川汇宇制药股份有限公司 | 2024-02-20 | — | — | CN | disclosed |
| CN-116888112-A | Lactams as CBL-B inhibitors | 基因泰克公司 | 2023-10-13 | — | — | CN | disclosed |
| CN-116425742-A | Bicyclic heteroaryl compounds and uses thereof | 锐新医药公司 | 2023-07-14 | — | — | CN | disclosed |
| WO-2022212531-A1 | PYRIDOPYRIMIDINONE COMPOUNDS | ACERAND THERAPEUTICS (USA) LIMITED (US) | 2022-10-06 | — | — | WO | disclosed |
| WO-2022212546-A1 | PYRIDOPYRIMIDINONE COMPOUNDS | ACERAND THERAPEUTICS (USA) LIMITED (US) | 2022-10-06 | — | — | WO | disclosed |
| CN-114901662-A | Bicyclic heteroaryl compounds and uses thereof | 锐新医药公司 | 2022-08-12 | — | — | CN | disclosed |