Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRM5 | P41594 | 3/20 | 0.35 |
| ▸ | CHEK2 | O96017 | 1/20 | 0.35 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.34 |
| ▸ | EDNRB | P24530 | 1/20 | 0.34 |
| ▸ | EDNRA | P25101 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | CCR1 | P32246 | 1/20 | 0.33 |
| ▸ | CCR5 | P51681 | 1/20 | 0.33 |
| ▸ | CCR8 | P51685 | 1/20 | 0.33 |
| ▸ | METAP1 | P53582 | 1/20 | 0.33 |
| ▸ | BLM | P54132 | 1/20 | 0.33 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL18573261 | 0.87 | CCR1 (0.41) | GRM5CHEK2PDK2EDNRBEDNRA | |
| SCHEMBL18015564 | 0.86 | KDM4E (0.43) | GRM5CHEK2PDK2CYP1A2CYP2D6 | |
| SCHEMBL31090826 | 0.86 | KDM4E (0.43) | GRM5CHEK2PDK2CYP1A2CYP2D6 | |
| SCHEMBL19794394 | 0.78 | KDM4E (0.52) | GRM5CHEK2PDK2CYP1A2CYP2D6 | |
| SCHEMBL18015184 | 0.76 | ALDH1A1 (0.47) | GRM5CHEK2PDK2EDNRBEDNRA | |
| SCHEMBL18015186 | 0.76 | ALDH1A1 (0.47) | GRM5CHEK2PDK2EDNRBEDNRA | |
| SCHEMBL25070279 | 0.75 | TGFBR1 (0.49) | GRM5PDK2CYP1A2CYP2D6CYP19A1 | |
| SCHEMBL17296043 | 0.75 | KDM4E (0.48) | GRM5CYP1A2CYP2D6CYP19A1CYP2C9 | |
| SCHEMBL9958239 | 0.73 | KDM4E (0.54) | GRM5CYP1A2CYP2D6CYP19A1CYP2C9 | |
| SCHEMBL21125566 | 0.73 | CYP2A6 (0.46) | GRM5CHEK2PDK2CYP1A2CYP2D6 |
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-2016124304-A1 | METAL COMPLEXES | MERCK PATENT GMBH (DE) | 2016-08-11 | — | — | WO | disclosed |