Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RIPK1 | Q13546 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | CTRB1 | P17538 | 3/20 | 0.33 |
| ▸ | DPP4 | P27487 | 1/20 | 0.33 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.33 |
| ▸ | DPP7 | Q9UHL4 | 1/20 | 0.33 |
| ▸ | MMP2 | P08253 | 1/20 | 0.33 |
| ▸ | MMP9 | P14780 | 1/20 | 0.33 |
| ▸ | ADAM17 | P78536 | 1/20 | 0.33 |
| ▸ | TACR1 | P25103 | 2/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.33 |
| ▸ | LIPE | Q05469 | 1/20 | 0.32 |
| ▸ | CRBN | Q96SW2 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | SLC1A3 | P43003 | 2/20 | 0.32 |
| ▸ | SLC1A2 | P43004 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL19853696 | 0.85 | DPP4 (0.43) | ALDH1A1POLBL3MBTL1CYP2C19SMN1; SMN2 | |
| SCHEMBL19853721 | 0.85 | DPP4 (0.43) | ALDH1A1POLBL3MBTL1CYP2C19SMN1; SMN2 | |
| SCHEMBL19853771 | 0.82 | GRIN2B (0.41) | RIPK1ALDH1A1CYP2C19SMN1; SMN2DPP4 | |
| SCHEMBL19853693 | 0.77 | RIPK1 (0.48) | RIPK1ALDH1A1CYP2C19SMN1; SMN2CYP2D6 | |
| SCHEMBL19853717 | 0.75 | DPP4 (0.44) | ALDH1A1POLBL3MBTL1CYP2C19SMN1; SMN2 | |
| SCHEMBL19853770 | 0.75 | DPP4 (0.44) | ALDH1A1POLBL3MBTL1CYP2C19SMN1; SMN2 | |
| SCHEMBL21034522 | 0.74 | LMNA (0.31) | — | |
| SCHEMBL19854375 | 0.74 | LMNA (0.36) | — | |
| SCHEMBL19853720 | 0.73 | DPP4 (0.41) | DPP4MEN1KMT2A | |
| SCHEMBL21034288 | 0.73 | LMNA (0.33) | SMN1; SMN2 |
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-2018026763-A1 | SPIRO-LACTAM NMDA RECEPTOR MODULATORS AND USES THEREOF | APTINYX INC. (US) | 2018-02-08 | — | — | WO | disclosed |