Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPV6 | Q9H1D0 | 1/20 | 0.61 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | GFER | P55789 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.40 |
| ▸ | FAAH | O00519 | 2/20 | 0.40 |
| ▸ | CCR8 | P51685 | 1/20 | 0.40 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL19019864 | 0.89 | GFER (0.53) | TRPV6NPC1KDM4EALDH1A1HTT | |
| SCHEMBL19019922 | 0.87 | MAPK1 (0.50) | TRPV6MAPK1KDM4EALDH1A1TDP1 | |
| SCHEMBL19019875 | 0.86 | TRPV6 (0.45) | TRPV6CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL19019882 | 0.86 | TRPV6 (0.43) | TRPV6MAPK1CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL19019925 | 0.84 | TRPV6 (0.43) | TRPV6CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL19061876 | 0.84 | GFER (0.47) | TRPV6NPC1KDM4EALDH1A1GFER | |
| SCHEMBL19061887 | 0.83 | L3MBTL1 (0.51) | MAPK1MEN1KMT2ALMNAMAPT | |
| SCHEMBL19061459 | 0.83 | RAB9A (0.46) | MAPK1NPC1KDM4EALDH1A1HPGD | |
| SCHEMBL19019917 | 0.83 | TDP1 (0.46) | TRPV6MAPK1CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL19061885 | 0.83 | MEN1 (0.52) | TRPV6MAPK1CYP1A2CYP3A4CYP2C19 |
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-3184514-A1 | AUTOPHAGY INHIBITORS | Deutsches Krebsforschungszentrum (DE) | 2017-06-28 | — | — | EP | disclosed |