Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MMP1 | P03956 | 1/20 | 0.50 |
| ▸ | MMP13 | P45452 | 1/20 | 0.50 |
| ▸ | GAA | P10253 | 1/20 | 0.45 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.42 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | OPRM1 | P35372 | 4/20 | 0.41 |
| ▸ | OPRL1 | P41146 | 4/20 | 0.41 |
| ▸ | CMA1 | P23946 | 1/20 | 0.41 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.41 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.41 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL19839346 | 0.86 | GAA (0.48) | MMP1MMP13GAAGRM2LMNA | |
| SCHEMBL19839918 | 0.85 | GAA (0.49) | MMP1MMP13GAAGRM2OPRM1 | |
| SCHEMBL19853665 | 0.84 | GAA (0.48) | MMP1MMP13GAAGRM2OPRM1 | |
| SCHEMBL19853779 | 0.82 | GAA (0.51) | MMP1MMP13GAAGRM2OPRM1 | |
| SCHEMBL19853780 | 0.81 | MEN1 (0.46) | OPRM1OPRL1MEN1KMT2ARIPK1 | |
| SCHEMBL19839342 | 0.77 | RIPK1 (0.46) | OPRM1OPRL1MEN1KMT2ARIPK1 | |
| SCHEMBL24634171 | 0.75 | GAA (0.45) | MMP1MMP13GAAGRM2HDAC6 | |
| SCHEMBL19853782 | 0.74 | RIPK1 (0.51) | GAAOPRM1OPRL1MEN1KMT2A | |
| SCHEMBL17761442 | 0.74 | HDAC1 (0.54) | GAALMNASMN1; SMN2HDAC6HDAC1 | |
| Nevadistinel SCHEMBL19838866 | 0.73 | GAA (0.51) | MMP1MMP13GAAGRM2OPRM1 |
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 |