Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CAPN1 | P07384 | 6/20 | 0.41 |
| ▸ | CTSB | P07858 | 1/20 | 0.40 |
| ▸ | XIAP | P98170 | 1/20 | 0.39 |
| ▸ | PREP | P48147 | 2/20 | 0.38 |
| ▸ | DPP4 | P27487 | 2/20 | 0.38 |
| ▸ | DPP7 | Q9UHL4 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | GRB2 | P62993 | 1/20 | 0.34 |
| ▸ | ACE | P12821 | 1/20 | 0.34 |
| ▸ | ELANE | P08246 | 2/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL28634746 | 0.92 | CAPN1 (0.41) | CAPN1CTSBXIAPPREPDPP4 | |
| SCHEMBL28640695 | 0.90 | CAPN1 (0.41) | CAPN1CTSBXIAPPREPDPP4 | |
| SCHEMBL28631118 | 0.88 | CAPN1 (0.49) | CAPN1CTSBXIAPPREPDPP4 | |
| SCHEMBL28632981 | 0.86 | CAPN1 (0.41) | CAPN1CTSBXIAPPREPDPP4 | |
| SCHEMBL28639719 | 0.81 | CAPN1 (0.53) | CAPN1CTSBPREPDPP4DPP7 | |
| SCHEMBL28651461 | 0.80 | CAPN1 (0.54) | CAPN1CTSBXIAPELANE | |
| SCHEMBL28633246 | 0.80 | CAPN1 (0.49) | CAPN1CTSBXIAPPREPDPP4 | |
| SCHEMBL28646494 | 0.77 | DPP4 (0.38) | CAPN1CTSBPREPDPP4DPP7 | |
| SCHEMBL24171144 | 0.77 | CAPN1 (0.51) | CAPN1CTSBXIAPPREPDPP4 | |
| SCHEMBL18539497 | 0.77 | CAPN1 (0.51) | CAPN1CTSBXIAPPREPDPP4 |
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-113480596-A | Compound for regulating NMDA receptor activity, pharmaceutical composition and application thereof | 北京广为医药科技有限公司 | 2021-10-08 | — | — | CN | claimed |
| CN-110003309-B | Compounds that modulate NMDA receptor activity, pharmaceutical compositions and uses thereof | 北京广为医药科技有限公司 | 2021-09-10 | — | — | CN | claimed |