Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SHBG | P04278 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.30 |
| ▸ | NPC1 | O15118 | 1/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | GAA | P10253 | 1/20 | 0.30 |
| ▸ | RAB9A | P51151 | 1/20 | 0.30 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL21078708 | 0.81 | GRM5 (0.35) | — | |
| SCHEMBL15176115 | 0.79 | RXFP1 (0.42) | — | |
| SCHEMBL31732000 | 0.70 | RXFP1 (0.43) | — | |
| SCHEMBL2315975 | 0.70 | NPC1 (0.38) | KDM4ENPC1ALDH1A1GAARAB9A | |
| SCHEMBL15176393 | 0.70 | FFAR1 (0.36) | — | |
| SCHEMBL25151362 | 0.68 | ALDH1A1 (0.42) | KDM4ENPC1ALDH1A1RAB9ASMN1; SMN2 | |
| SCHEMBL25151746 | 0.67 | CHEK1 (0.32) | — | |
| SCHEMBL31309448 | 0.66 | GRM5 (0.47) | KDM4ENPC1ALDH1A1GAARAB9A | |
| SCHEMBL21980089 | 0.65 | ALDH1A1 (0.40) | ALDH1A1 | |
| SCHEMBL23107051 | 0.65 | SUV39H2 (0.33) | KDM4ENPC1ALDH1A1RAB9A |
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-2017216292-A1 | BICYCLIC PYRIDINE, PYRAZINE, AND PYRIMIDINE DERIVATIVES AS PI3K BETA INHIBITORS | JANSSEN PHARMACEUTICA NV (BE) | 2017-12-21 | — | — | WO | disclosed |