Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CAPN1 | P07384 | 8/20 | 0.47 |
| ▸ | CTSB | P07858 | 3/20 | 0.47 |
| ▸ | ELANE | P08246 | 1/20 | 0.37 |
| ▸ | DPP4 | P27487 | 1/20 | 0.37 |
| ▸ | PREP | P48147 | 1/20 | 0.37 |
| ▸ | DPP7 | Q9UHL4 | 1/20 | 0.37 |
| ▸ | XIAP | P98170 | 1/20 | 0.36 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.35 |
| ▸ | GRB2 | P62993 | 1/20 | 0.33 |
| ▸ | STAT3 | P40763 | 1/20 | 0.33 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.33 |
| ▸ | REN | P00797 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL28634748 | 0.89 | CAPN1 (0.47) | CAPN1CTSBELANEDPP4PREP | |
| Rapastinel SCHEMBL20678315 | 0.84 | CAPN1 (0.59) | CAPN1CTSBELANEDPP4PREP | |
| Rapastinel SCHEMBL22213513 | 0.84 | CAPN1 (0.59) | CAPN1CTSBELANEDPP4PREP | |
| Rapastinel SCHEMBL21549060 | 0.84 | CAPN1 (0.59) | CAPN1CTSBELANEDPP4PREP | |
| Rapastinel SCHEMBL23859841 | 0.84 | CAPN1 (0.59) | CAPN1CTSBELANEDPP4PREP | |
| Rapastinel SCHEMBL23753673 | 0.84 | CAPN1 (0.59) | CAPN1CTSBELANEDPP4PREP | |
| Rapastinel SCHEMBL25266713 | 0.84 | CAPN1 (0.59) | CAPN1CTSBELANEDPP4PREP | |
| Rapastinel SCHEMBL23859842 | 0.84 | CAPN1 (0.59) | CAPN1CTSBELANEDPP4PREP | |
| Rapastinel SCHEMBL20814039 | 0.84 | CAPN1 (0.59) | CAPN1CTSBELANEDPP4PREP | |
| Rapastinel SCHEMBL19165826 | 0.84 | CAPN1 (0.59) | CAPN1CTSBELANEDPP4PREP |
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 |