Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDK2 | Q15119 | 1/20 | 0.39 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | RET | P07949 | 1/20 | 0.35 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.35 |
| ▸ | RIPK3 | Q9Y572 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | IRAK4 | Q9NWZ3 | 1/20 | 0.35 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.35 |
| ▸ | SMO | Q99835 | 1/20 | 0.35 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL21202989 | 0.80 | CYP1A2 (0.42) | PDK2CYP17A1CYP3A4KDM4ECYP1A2 | |
| SCHEMBL18015280 | 0.80 | PDK2 (0.38) | PDK2CYP17A1CYP3A4RETRIPK1 | |
| SCHEMBL26499233 | 0.80 | ERN1 (0.36) | PDK2CYP17A1CYP3A4KDM4ENPC1 | |
| SCHEMBL22059845 | 0.78 | KDM4E (0.35) | PDK2CYP17A1CYP3A4KDM4ENPC1 | |
| SCHEMBL22059901 | 0.76 | PDK2 (0.38) | PDK2CYP17A1CYP3A4CYP1A2CYP2D6 | |
| SCHEMBL24191488 | 0.74 | PDK2 (0.34) | PDK2CYP17A1CYP3A4CYP1A2CYP2D6 | |
| SCHEMBL24727549 | 0.73 | TP53 (0.35) | CYP2C9 | |
| SCHEMBL24074578 | 0.73 | TSHR (0.32) | — | |
| SCHEMBL19933661 | 0.73 | SMN1; SMN2 (0.45) | KDM4ENPC1TRPV1ALDH1A1RAB9A | |
| SCHEMBL18015334 | 0.71 | LMNA (0.39) | KDM4ENPC1CYP1A2ALDH1A1MAPK1 |
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-3254317-B1 | METAL COMPLEXES | MERCK PATENT GMBH (DE) | 2019-07-31 | — | — | EP | disclosed |