Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.34 |
| ▸ | NPFFR1 | Q9GZQ6 | 1/20 | 0.34 |
| ▸ | NPFFR2 | Q9Y5X5 | 1/20 | 0.34 |
| ▸ | DRD2 | P14416 | 4/20 | 0.33 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.33 |
| ▸ | LMNA | P02545 | 2/20 | 0.33 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.33 |
| ▸ | MMP1 | P03956 | 1/20 | 0.32 |
| ▸ | MMP9 | P14780 | 1/20 | 0.32 |
| ▸ | MMP13 | P45452 | 1/20 | 0.32 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.32 |
| ▸ | GLA | P06280 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 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 | |
|---|---|---|---|---|
| SCHEMBL21225110 | 0.80 | GRM5 (0.32) | — | |
| SCHEMBL3078624 | 0.79 | BUB1 (0.37) | EPHX1KDM4EHPGD | |
| SCHEMBL3733841 | 0.77 | KDM1A (0.38) | KDM4EHPGD | |
| SCHEMBL25238948 | 0.74 | KDM1A (0.38) | MEN1KMT2AKDM4EHPGD | |
| SCHEMBL21225630 | 0.74 | ITGB3 (0.40) | — | |
| SCHEMBL21225628 | 0.74 | ITGB3 (0.40) | — | |
| SCHEMBL21246539 | 0.73 | ITGB3 (0.38) | HSD17B10 | |
| SCHEMBL24569354 | 0.71 | KDM1A (0.39) | KDM4EMAPT | |
| Hydrochloric Acid SCHEMBL21225114 | 0.70 | GRM5 (0.33) | ALDH1A1KDM4E | |
| SCHEMBL11464909 | 0.69 | SMN1; SMN2 (0.36) | ALDH1A1MEN1KMT2AHSD17B10 |
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-2019152688-A1 | SPIRO-LACTAM NMDA RECEPTOR MODULATORS AND USES THEREOF | APTINYX INC. (US) | 2019-08-08 | — | — | WO | disclosed |