Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | G6PD | P11413 | 1/20 | 0.50 |
| ▸ | NSD2 | O96028 | 1/20 | 0.44 |
| ▸ | CASP6 | P55212 | 1/20 | 0.44 |
| ▸ | MMP14 | P50281 | 3/20 | 0.41 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.39 |
| ▸ | EPHA2 | P29317 | 1/20 | 0.39 |
| ▸ | KDR | P35968 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 5/20 | 0.37 |
| ▸ | NPC1 | O15118 | 4/20 | 0.37 |
| ▸ | RAB9A | P51151 | 4/20 | 0.37 |
| ▸ | MEN1 | O00255 | 4/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.36 |
| ▸ | LMNA | P02545 | 4/20 | 0.36 |
| ▸ | HSP90AA1 | P07900 | 3/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.36 |
| ▸ | CCR1 | P32246 | 1/20 | 0.36 |
| ▸ | CCR8 | P51685 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL28892574 | 1.00 | G6PD (0.50) | G6PDNSD2CASP6MMP14ERBB2 | |
| SCHEMBL30002712 | 0.90 | NSD2 (0.47) | G6PDNSD2CASP6ERBB2EPHA2 | |
| SCHEMBL28959473 | 0.90 | NSD2 (0.47) | G6PDNSD2CASP6ERBB2EPHA2 | |
| SCHEMBL28892236 | 0.83 | KMT2A (0.48) | CASP6HTTNPC1RAB9AMEN1 | |
| SCHEMBL30003250 | 0.81 | NSD2 (0.41) | G6PDNSD2CASP6NPC1RAB9A | |
| SCHEMBL28892537 | 0.81 | NSD2 (0.41) | G6PDNSD2CASP6NPC1RAB9A | |
| SCHEMBL28892434 | 0.80 | KDR (0.37) | G6PDERBB2EPHA2KDRNPC1 | |
| SCHEMBL30002084 | 0.80 | KDR (0.37) | G6PDERBB2EPHA2KDRNPC1 | |
| SCHEMBL30003152 | 0.79 | KIT (0.36) | G6PDNSD2CASP6ERBB2EPHA2 | |
| SCHEMBL28892632 | 0.79 | KIT (0.36) | G6PDNSD2CASP6ERBB2EPHA2 |
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 |