Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 2/20 | 0.52 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.52 |
| ▸ | ESRRB | O95718 | 1/20 | 0.52 |
| ▸ | ESRRA | P11474 | 1/20 | 0.52 |
| ▸ | DHODH | Q02127 | 2/20 | 0.42 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.41 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.41 |
| ▸ | PDE10A | Q9Y233 | 2/20 | 0.41 |
| ▸ | ACP1 | P24666 | 2/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | HPGD | P15428 | 3/20 | 0.41 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | LMNA | P02545 | 3/20 | 0.40 |
| ▸ | MAPT | P10636 | 2/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.40 |
| ▸ | HTT | P42858 | 2/20 | 0.40 |
| ▸ | POLB | P06746 | 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 | |
|---|---|---|---|---|
| SCHEMBL19919269 | 0.85 | ESR1 (0.45) | ESR1ESR2ESRRBESRRADHODH | |
| SCHEMBL2186006 | 0.84 | ESRRB (0.55) | ESR1ESR2ESRRBESRRADHODH | |
| SCHEMBL1343029 | 0.83 | ESR1 (0.58) | ESR1ESR2ESRRBESRRADHODH | |
| SCHEMBL24795633 | 0.79 | ESR1 (0.48) | ESR1ESR2ESRRBESRRAABCB1 | |
| SCHEMBL19919240 | 0.77 | ESR1 (0.49) | ESR1ESR2ALDH1A1HPGDMAPT | |
| SCHEMBL2186392 | 0.72 | XDH (0.55) | ESR1ESR2ESRRBESRRADHODH | |
| SCHEMBL27719422 | 0.71 | ALDH1A1 (0.53) | ESR1ESR2ESRRBESRRAABCB1 | |
| SCHEMBL15237510 | 0.71 | KDM4E (0.66) | DHODHKDM4EKMT2APDE10ASMN1; SMN2 | |
| SCHEMBL2189466 | 0.70 | DHODH (0.55) | ESR1ESR2ESRRBESRRADHODH | |
| SCHEMBL17875451 | 0.69 | ACACA (0.44) | DHODHKDM4EKMT2AALDH1A1HPGD |
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-2343279-B1 | FUSED-RING DERIVATIVE AND MEDICAL APPLICATION OF SAME | KISSEI PHARMACEUTICAL (JP) | 2018-02-28 | — | — | EP | disclosed |