Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | GLA | P06280 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.39 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.39 |
| ▸ | APEX1 | P27695 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | PPM1B | O75688 | 1/20 | 0.39 |
| ▸ | FOLH1 | Q04609 | 3/20 | 0.31 |
| ▸ | CCKBR | P32239 | 1/20 | 0.31 |
| ▸ | KCNK2 | O95069 | 1/20 | 0.31 |
| ▸ | TET2 | Q6N021 | 3/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL19839363 | 0.85 | CYP1A2 (0.43) | CYP1A2CYP2C19ALDH1A1KDM4ETP53 | |
| SCHEMBL19839344 | 0.85 | CYP1A2 (0.43) | CYP1A2CYP2C19ALDH1A1KDM4ETP53 | |
| SCHEMBL19839308 | 0.83 | MME (0.33) | — | |
| SCHEMBL19854880 | 0.78 | LMNA (0.34) | — | |
| SCHEMBL19854884 | 0.78 | LMNA (0.34) | — | |
| SCHEMBL19853773 | 0.78 | LMNA (0.34) | — | |
| SCHEMBL21224624 | 0.77 | CYP1A2 (0.38) | CYP1A2CYP2C19ALDH1A1KDM4ETP53 | |
| SCHEMBL19839445 | 0.73 | LMNA (0.36) | — | |
| SCHEMBL21034806 | 0.73 | LMNA (0.36) | — | |
| SCHEMBL19854375 | 0.72 | LMNA (0.36) | — |
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 |