Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CAPN1 | P07384 | 8/20 | 0.54 |
| ▸ | CTSB | P07858 | 3/20 | 0.53 |
| ▸ | XIAP | P98170 | 1/20 | 0.38 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.38 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.35 |
| ▸ | CALCRL | Q16602 | 1/20 | 0.34 |
| ▸ | ELANE | P08246 | 1/20 | 0.34 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.34 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL28651461 | 0.92 | CAPN1 (0.54) | CAPN1CTSBXIAPOPRM1SLC6A2 | |
| SCHEMBL28633246 | 0.90 | CAPN1 (0.49) | CAPN1CTSBXIAPOPRM1ELANE | |
| SCHEMBL28633172 | 0.90 | CAPN1 (0.42) | CAPN1CTSB | |
| SCHEMBL16488740 | 0.89 | CAPN1 (0.65) | CAPN1CTSBXIAPOPRM1SLC6A2 | |
| SCHEMBL18626009 | 0.89 | CAPN1 (0.65) | CAPN1CTSBXIAPOPRM1SLC6A2 | |
| SCHEMBL14673120 | 0.89 | CAPN1 (0.65) | CAPN1CTSBXIAPOPRM1SLC6A2 | |
| SCHEMBL14673121 | 0.89 | CAPN1 (0.65) | CAPN1CTSBXIAPOPRM1SLC6A2 | |
| SCHEMBL28644179 | 0.87 | CAPN1 (0.50) | CAPN1CTSBOPRM1OPRD1OPRK1 | |
| SCHEMBL7202436 | 0.87 | CAPN1 (0.59) | CAPN1CTSBXIAPOPRM1SLC6A2 | |
| SCHEMBL7202432 | 0.87 | CAPN1 (0.59) | CAPN1CTSBXIAPOPRM1SLC6A2 |
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 |