Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 4/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.53 |
| ▸ | PTGES | O14684 | 3/20 | 0.53 |
| ▸ | CTSV | O60911 | 4/20 | 0.51 |
| ▸ | CTSL | P07711 | 4/20 | 0.51 |
| ▸ | HTR1A | P08908 | 1/20 | 0.51 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.51 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.51 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.51 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.48 |
| ▸ | MAPT | P10636 | 3/20 | 0.48 |
| ▸ | HPGD | P15428 | 2/20 | 0.48 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.45 |
| ▸ | NPC1 | O15118 | 1/20 | 0.45 |
| ▸ | RAB9A | P51151 | 1/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL29034462 | 1.00 | MEN1 (0.53) | MEN1KMT2AALDH1A1PTGESCTSV | |
| SCHEMBL4233714 | 1.00 | MEN1 (0.53) | MEN1KMT2AALDH1A1PTGESCTSV | |
| SCHEMBL30002441 | 1.00 | MEN1 (0.53) | MEN1KMT2AALDH1A1PTGESCTSV | |
| SCHEMBL10585706 | 0.88 | MEN1 (0.56) | MEN1KMT2AALDH1A1CTSVCTSL | |
| SCHEMBL31756984 | 0.88 | MEN1 (0.56) | MEN1KMT2AALDH1A1CTSVCTSL | |
| SCHEMBL30699715 | 0.86 | PTGES (0.57) | MEN1KMT2APTGESCTSVCTSL | |
| SCHEMBL11232948 | 0.86 | ABCB1 (0.57) | MEN1KMT2AALDH1A1CTSVCTSL | |
| SCHEMBL1137268 | 0.86 | PTGES (0.57) | MEN1KMT2APTGESCTSVCTSL | |
| SCHEMBL810439 | 0.86 | PTGES (0.57) | MEN1KMT2APTGESCTSVCTSL | |
| SCHEMBL6097716 | 0.85 | PTGES (0.54) | MEN1KMT2APTGESCTSVCTSL |
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 |