Known targets — ChEMBL curated mechanism
GRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3B
The experimentally established mechanism targets of Rapastinel. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CAPN1 | P07384 | 8/20 | 0.59 |
| ▸ | CTSB | P07858 | 3/20 | 0.58 |
| ▸ | DPP4 | P27487 | 6/20 | 0.47 |
| ▸ | DPP7 | Q9UHL4 | 6/20 | 0.47 |
| ▸ | PREP | P48147 | 3/20 | 0.47 |
| ▸ | XIAP | P98170 | 1/20 | 0.44 |
| ▸ | GRB2 | P62993 | 1/20 | 0.43 |
| ▸ | ELANE | P08246 | 1/20 | 0.41 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.39 |
| ▸ | FAP | Q12884 | 3/20 | 0.37 |
| ▸ | DPP8 | Q6V1X1 | 3/20 | 0.37 |
| ▸ | DPP9 | Q86TI2 | 2/20 | 0.37 |
| ▸ | PITRM1 | Q5JRX3 | 1/20 | 0.37 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| Rapastinel SCHEMBL20814039 | 1.00 | CAPN1 (0.59) | CAPN1CTSBDPP4DPP7PREP | |
| Rapastinel SCHEMBL19138321 | 1.00 | CAPN1 (0.59) | CAPN1CTSBDPP4DPP7PREP | |
| Rapastinel SCHEMBL21549060 | 1.00 | CAPN1 (0.59) | CAPN1CTSBDPP4DPP7PREP | |
| Rapastinel SCHEMBL22213513 | 1.00 | CAPN1 (0.59) | CAPN1CTSBDPP4DPP7PREP | |
| Rapastinel SCHEMBL23859842 | 1.00 | CAPN1 (0.59) | CAPN1CTSBDPP4DPP7PREP | |
| Rapastinel SCHEMBL19165826 | 1.00 | CAPN1 (0.59) | CAPN1CTSBDPP4DPP7PREP | |
| Rapastinel SCHEMBL25266713 | 1.00 | CAPN1 (0.59) | CAPN1CTSBDPP4DPP7PREP | |
| Rapastinel SCHEMBL23859841 | 1.00 | CAPN1 (0.59) | CAPN1CTSBDPP4DPP7PREP | |
| Rapastinel SCHEMBL23753673 | 1.00 | CAPN1 (0.59) | CAPN1CTSBDPP4DPP7PREP | |
| Rapastinel SCHEMBL20678315 | 1.00 | CAPN1 (0.59) | CAPN1CTSBDPP4DPP7PREP |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2010033757-A1 | NMDA RECEPTOR MODULATORS AND USES THEREOF | NAUREX, INC. (US) | 2010-03-25 | — | — | WO | disclosed |