Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSK | P43235 | 5/20 | 0.50 |
| ▸ | CTSS | P25774 | 3/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | AAK1 | Q2M2I8 | 2/20 | 0.41 |
| ▸ | CA1 | P00915 | 1/20 | 0.39 |
| ▸ | CA2 | P00918 | 1/20 | 0.39 |
| ▸ | CA7 | P43166 | 1/20 | 0.39 |
| ▸ | BTK | Q06187 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | HCRTR2 | O43614 | 1/20 | 0.35 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.35 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.35 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL29127638 | 1.00 | CTSK (0.50) | CTSKCTSSKMT2AAAK1CA1 | |
| SCHEMBL28848467 | 1.00 | CTSK (0.50) | CTSKCTSSKMT2AAAK1CA1 | |
| SCHEMBL28848423 | 0.94 | CTSK (0.51) | CTSKCTSSKMT2AAAK1CA1 | |
| SCHEMBL28848424 | 0.94 | CTSK (0.51) | CTSKCTSSKMT2AAAK1CA1 | |
| SCHEMBL7375658 | 0.93 | CTSK (0.53) | CTSKCTSSKMT2AAAK1CA1 | |
| SCHEMBL28848451 | 0.93 | CTSK (0.53) | CTSKCTSSKMT2AAAK1CA1 | |
| SCHEMBL7332961 | 0.93 | CTSK (0.53) | CTSKCTSSKMT2AAAK1CA1 | |
| SCHEMBL4974388 | 0.93 | CTSK (0.53) | CTSKCTSSKMT2AAAK1CA1 | |
| SCHEMBL1867025 | 0.93 | CTSK (0.53) | CTSKCTSSKMT2AAAK1CA1 | |
| SCHEMBL968238 | 0.92 | CTSK (0.43) | CTSKCTSSKMT2AAAK1CA1 |
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-114957053-B | Oxoethylene compound or pharmaceutically acceptable salt thereof, preparation method and application thereof, pharmaceutical composition and application thereof | 中国医学科学院医药生物技术研究所 | 2023-12-22 | — | — | CN | disclosed |
| CN-114957053-A | Oxoethylene compound or pharmaceutically acceptable salt thereof, preparation method and application thereof, pharmaceutical composition and application thereof | 中国医学科学院医药生物技术研究所 | 2022-08-30 | — | — | CN | disclosed |