Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 2/20 | 0.48 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.48 |
| ▸ | LTA4H | P09960 | 1/20 | 0.46 |
| ▸ | CDK1 | P06493 | 1/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | HTR1A | P08908 | 1/20 | 0.42 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.42 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | HTR3A | P46098 | 1/20 | 0.42 |
| ▸ | BACE1 | P56817 | 1/20 | 0.42 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.42 |
| ▸ | BLM | P54132 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | IGF1R | P08069 | 1/20 | 0.41 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.41 |
| ▸ | MIF | P14174 | 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 | |
|---|---|---|---|---|
| SCHEMBL21901990 | 0.82 | CDK1 (0.43) | CDK1KDM4EALDH1A1BACE1TDP1 | |
| SCHEMBL189018 | 0.79 | MIF (0.58) | ESR1ESR2MIF | |
| SCHEMBL19499354 | 0.79 | ALDH1A1 (0.47) | ALDH1A1TAAR1L3MBTL1KMT2ATDP1 | |
| SCHEMBL7735973 | 0.79 | CNR1 (0.40) | CDK1ALDH1A1L3MBTL1CA2 | |
| SCHEMBL29380219 | 0.78 | CYP4F2 (0.42) | CDK1 | |
| SCHEMBL11886147 | 0.78 | CYP4F2 (0.42) | CDK1 | |
| SCHEMBL9842754 | 0.77 | ESR1 (0.61) | ESR1ESR2LTA4HKDM4EALDH1A1 | |
| SCHEMBL4897461 | 0.77 | ESR1 (0.51) | ESR1ESR2KMT2AMIF | |
| SCHEMBL1390865 | 0.76 | GPR84 (0.46) | KDM4EALDH1A1 | |
| SCHEMBL1219815 | 0.76 | CDK1 (0.45) | CDK1ALDH1A1CA2 |
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-2351743-A1 | BICYCLIC COMPOUND | Takeda Pharmaceutical Company Limited (JP) | 2011-08-03 | — | — | EP | disclosed |