Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSS | P25774 | 6/20 | 0.72 |
| ▸ | CTSK | P43235 | 6/20 | 0.72 |
| ▸ | AAK1 | Q2M2I8 | 2/20 | 0.52 |
| ▸ | REN | P00797 | 2/20 | 0.47 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.46 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.46 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.46 |
| ▸ | KLKB1 | P03952 | 1/20 | 0.43 |
| ▸ | CPB2 | Q96IY4 | 1/20 | 0.43 |
| ▸ | CACNA1B | Q00975 | 2/20 | 0.42 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.42 |
| ▸ | CTSL | P07711 | 2/20 | 0.41 |
| ▸ | CTSB | P07858 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | CA12 | O43570 | 1/20 | 0.41 |
| ▸ | CA2 | P00918 | 1/20 | 0.41 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.41 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL28982690 | 1.00 | CTSS (0.72) | CTSSCTSKAAK1RENHDAC4 | |
| SCHEMBL30172531 | 0.90 | CTSS (0.76) | CTSSCTSKAAK1RENHDAC4 | |
| SCHEMBL16869 | 0.88 | CTSS (0.60) | CTSSCTSKAAK1RENHDAC4 | |
| SCHEMBL16146 | 0.88 | CTSS (0.60) | CTSSCTSKAAK1RENHDAC4 | |
| SCHEMBL3615325 | 0.87 | CTSS (0.76) | CTSSCTSKAAK1RENHDAC4 | |
| SCHEMBL3615254 | 0.87 | CTSS (0.76) | CTSSCTSKAAK1RENHDAC4 | |
| SCHEMBL267945 | 0.86 | CTSS (0.70) | CTSSCTSKAAK1RENHDAC4 | |
| SCHEMBL265532 | 0.85 | CTSS (0.63) | CTSSCTSKAAK1RENHDAC4 | |
| SCHEMBL7326977 | 0.85 | CTSK (0.61) | CTSSCTSKAAK1RENHDAC4 | |
| SCHEMBL12632018 | 0.84 | CTSS (0.71) | CTSSCTSKAAK1RENHDAC4 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2023030459-A1 | QUINOLINONE AMIDE-CONTAINING COMPOUND, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION THEREOF, AND USE THEREOF | 中国科学院上海药物研究所 | 2023-03-09 | — | — | WO | disclosed |
| CN-115745960-A | Quinolinone amide-containing compound, preparation method, pharmaceutical composition and application thereof | 中国科学院上海药物研究所 | 2023-03-07 | — | — | CN | disclosed |