Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 2/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CASP2 | P42575 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 5/20 | 0.36 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.35 |
| ▸ | CASP1 | P29466 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | RECQL | P46063 | 1/20 | 0.35 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.35 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL12820063 | 0.74 | CYP3A4 (0.42) | CYP2C19CYP3A4L3MBTL1ALDH1A1MTNR1A | |
| SCHEMBL20804453 | 0.71 | CYP3A4 (0.45) | CYP2C19CYP3A4L3MBTL1CASP2HPGD | |
| SCHEMBL14753610 | 0.69 | CYP3A4 (0.50) | CYP2C19CYP3A4L3MBTL1HPGDEPHX2 | |
| SCHEMBL28195168 | 0.69 | CTSK (0.44) | CYP2C19CYP3A4L3MBTL1CYP1A2CASP2 | |
| SCHEMBL23028559 | 0.69 | TSHR (0.47) | CYP2C19CYP3A4L3MBTL1CYP1A2HPGD | |
| SCHEMBL14753661 | 0.68 | CYP3A4 (0.53) | CYP2C19CYP3A4L3MBTL1CYP1A2HPGD | |
| SCHEMBL18134847 | 0.68 | FDPS (0.42) | CYP2C19CYP3A4L3MBTL1CYP1A2HPGD | |
| SCHEMBL9938968 | 0.67 | CYP3A4 (0.51) | CYP2C19CYP3A4L3MBTL1CASP2HPGD | |
| SCHEMBL23028570 | 0.67 | CYP2D6 (0.34) | CYP2C19CYP3A4CYP1A2HPGDALDH1A1 | |
| SCHEMBL28124071 | 0.67 | NAMPT (0.50) | CYP2C19CYP3A4L3MBTL1HPGDALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2951183-B1 | SPIRO-LACTAM NMDA RECEPTOR MODULATORS AND USES THEREOF | APTINYX INC (US) | 2019-03-13 | — | — | EP | disclosed |