Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR1A | P08908 | 1/20 | 0.41 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.41 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.41 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.41 |
| ▸ | PKM | P14618 | 2/20 | 0.40 |
| ▸ | GAA | P10253 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.40 |
| ▸ | LMNA | P02545 | 5/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | PTGES | O14684 | 2/20 | 0.40 |
| ▸ | MAPT | P10636 | 4/20 | 0.39 |
| ▸ | POLB | P06746 | 2/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 3/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | NFKB1 | P19838 | 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 | |
|---|---|---|---|---|
| SCHEMBL30002600 | 0.90 | HTR1A (0.41) | HTR1AADRA1DADRA1AADRA1BPKM | |
| SCHEMBL28892764 | 0.90 | HTR1A (0.41) | HTR1AADRA1DADRA1AADRA1BPKM | |
| SCHEMBL30001950 | 0.88 | ALDH1A1 (0.52) | HTR1AADRA1DADRA1AADRA1BPKM | |
| SCHEMBL28892294 | 0.88 | ALDH1A1 (0.52) | HTR1AADRA1DADRA1AADRA1BPKM | |
| SCHEMBL28892476 | 0.86 | MEN1 (0.52) | HTR1AADRA1DADRA1AADRA1BPKM | |
| SCHEMBL30002570 | 0.86 | MEN1 (0.52) | HTR1AADRA1DADRA1AADRA1BPKM | |
| SCHEMBL28892509 | 0.84 | LMNA (0.41) | HTR1AADRA1DADRA1AADRA1BPKM | |
| SCHEMBL30002646 | 0.84 | LMNA (0.41) | HTR1AADRA1DADRA1AADRA1BPKM | |
| SCHEMBL30002400 | 0.83 | KDM4E (0.39) | SMN1; SMN2KDM4EPSMD14COPS5 | |
| SCHEMBL28892709 | 0.83 | KDM4E (0.39) | SMN1; SMN2KDM4EPSMD14COPS5 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-115232144-B | Nitrogen-containing condensed ring derivative, pharmaceutical composition, and preparation method and application thereof | 长春金赛药业有限责任公司 | 2024-04-02 | — | — | CN | disclosed |
| CN-115232144-A | Nitrogen-containing fused ring derivative, pharmaceutical composition, preparation method and application thereof | 长春金赛药业有限责任公司 | 2022-10-25 | — | — | CN | disclosed |