Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR1 | P25103 | 3/20 | 0.37 |
| ▸ | MEN1 | O00255 | 2/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 2/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | LTA4H | P09960 | 1/20 | 0.35 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.34 |
| ▸ | MMP2 | P08253 | 1/20 | 0.33 |
| ▸ | MMP3 | P08254 | 1/20 | 0.33 |
| ▸ | MMP9 | P14780 | 1/20 | 0.33 |
| ▸ | CTSV | O60911 | 1/20 | 0.33 |
| ▸ | CTSL | P07711 | 1/20 | 0.33 |
| ▸ | CTSB | P07858 | 1/20 | 0.33 |
| ▸ | CTSS | P25774 | 1/20 | 0.33 |
| ▸ | CTSK | P43235 | 1/20 | 0.33 |
| ▸ | CTSC | P53634 | 1/20 | 0.33 |
| ▸ | CTSF | Q9UBX1 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL26694431 | 0.76 | GRIN1 (0.43) | TACR1MEN1KMT2ALTA4HSLC6A4 | |
| SCHEMBL19628503 | 0.74 | LMNA (0.36) | TACR1MEN1KMT2ANPSR1LMNA | |
| SCHEMBL19627471 | 0.74 | LMNA (0.36) | TACR1MEN1KMT2ANPSR1LMNA | |
| SCHEMBL19627465 | 0.74 | LMNA (0.36) | TACR1MEN1KMT2ANPSR1LMNA | |
| SCHEMBL25051753 | 0.72 | TACR1 (0.35) | TACR1MEN1KMT2ANPSR1LMNA | |
| SCHEMBL15029188 | 0.72 | MEN1 (0.34) | TACR1MEN1KMT2ANPSR1LMNA | |
| SCHEMBL19614475 | 0.72 | TACR1 (0.35) | TACR1MEN1KMT2ANPSR1LMNA | |
| SCHEMBL3595534 | 0.69 | TACR1 (0.37) | TACR1MEN1KMT2ANPSR1LMNA | |
| SCHEMBL20512123 | 0.67 | TACR1 (0.40) | TACR1MEN1KMT2ANPSR1LMNA | |
| SCHEMBL790547 | 0.66 | TACR1 (0.41) | TACR1MEN1KMT2ANPSR1LMNA |
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 |
|---|---|---|---|---|---|---|---|
| EP-3458458-B1 | SPIRO-LACTAM NMDA RECEPTOR MODULATORS AND USES THEREOF | APTINYX INC (US) | 2020-11-04 | — | — | EP | disclosed |
| WO-2017201283-A1 | SPIRO-LACTAM NMDA RECEPTOR MODULATORS AND USES THEREOF | APTINYX INC. (US) | 2017-11-23 | — | — | WO | disclosed |