Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.51 |
| ▸ | TSHR | P16473 | 2/20 | 0.51 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.50 |
| ▸ | HPGD | P15428 | 3/20 | 0.50 |
| ▸ | NR4A2 | P43354 | 2/20 | 0.49 |
| ▸ | LMNA | P02545 | 2/20 | 0.48 |
| ▸ | GAA | P10253 | 1/20 | 0.46 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.46 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.46 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.46 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 2/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | PKM | P14618 | 1/20 | 0.44 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL10671761 | 0.81 | ALDH1A1 (0.54) | ALDH1A1TSHRKDM4EHPGDNR4A2 | |
| SCHEMBL15466939 | 0.81 | ALDH1A1 (0.69) | ALDH1A1TSHRKDM4EHPGDNR4A2 | |
| SCHEMBL31339959 | 0.80 | ALDH1A1 (0.49) | ALDH1A1KDM4EHPGDLMNAGAA | |
| SCHEMBL29091375 | 0.80 | ALDH1A1 (0.51) | ALDH1A1TSHRKDM4EHPGDGAA | |
| SCHEMBL30171473 | 0.77 | ALDH1A1 (0.51) | ALDH1A1TSHRKDM4EHPGDGAA | |
| SCHEMBL27212351 | 0.77 | ALDH1A1 (0.51) | ALDH1A1TSHRKDM4EHPGDGAA | |
| SCHEMBL10974097 | 0.77 | KDM4E (0.52) | ALDH1A1TSHRKDM4EHPGDGAA | |
| SCHEMBL24054530 | 0.76 | MAOB (0.53) | ALDH1A1TSHRKDM4EHPGDLMNA | |
| SCHEMBL18044750 | 0.75 | MYC (0.58) | ALDH1A1TSHRKDM4EHPGDNR4A2 | |
| SCHEMBL28723434 | 0.73 | ALDH1A1 (0.53) | ALDH1A1TSHRKDM4EHPGDGAA |
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-118475560-A | Novel heterocyclic compound | 首药控股(北京)股份有限公司 | 2024-08-09 | — | — | CN | disclosed |
| CN-116924983-A | Novel heterocyclic compound | 首药控股(北京)股份有限公司 | 2023-10-24 | — | — | CN | disclosed |
| WO-2023185811-A1 | NOVEL HETEROCYCLIC COMPOUND | 首药控股(北京)股份有限公司 | 2023-10-05 | — | — | WO | disclosed |