Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPV6 | Q9H1D0 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | CACNA1F | O60840 | 1/20 | 0.39 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.39 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.39 |
| ▸ | DRD2 | P14416 | 1/20 | 0.39 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.39 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.39 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.39 |
| ▸ | HRH1 | P35367 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL19019882 | 0.90 | TRPV6 (0.43) | TRPV6ALDH1A1KDM4ETDP1HPGD | |
| SCHEMBL19019875 | 0.90 | TRPV6 (0.45) | TRPV6ALDH1A1KDM4ETDP1HPGD | |
| SCHEMBL19061872 | 0.89 | MAPK1 (0.41) | ALDH1A1TDP1HTTCYP1A2CYP2D6 | |
| SCHEMBL19019915 | 0.84 | TRPV6 (0.61) | TRPV6ALDH1A1KDM4ETDP1HPGD | |
| SCHEMBL22263126 | 0.82 | HTT (0.41) | ALDH1A1KDM4EHTTCYP1A2CYP2D6 | |
| SCHEMBL19062037 | 0.81 | METAP2 (0.43) | ALDH1A1KDM4ETDP1L3MBTL1 | |
| SCHEMBL20917965 | 0.80 | MAPK1 (0.41) | ALDH1A1KDM4ETDP1CYP1A2CYP3A4 | |
| SCHEMBL19019905 | 0.79 | ALDH1A1 (0.40) | ALDH1A1KDM4EHTTCYP1A2CYP3A4 | |
| SCHEMBL19061947 | 0.79 | P2RX7 (0.44) | ALDH1A1HPGDNPC1LMNAGAA | |
| SCHEMBL19061440 | 0.77 | MAPK1 (0.46) | ALDH1A1KDM4ETDP1HTTNPC1 |
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 |