Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE3B | Q13370 | 1/20 | 0.34 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.33 |
| ▸ | ESR1 | P03372 | 1/20 | 0.33 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.33 |
| ▸ | ABL1 | P00519 | 1/20 | 0.32 |
| ▸ | BCHE | P06276 | 1/20 | 0.32 |
| ▸ | HSD11B1 | P28845 | 2/20 | 0.32 |
| ▸ | F10 | P00742 | 1/20 | 0.32 |
| ▸ | EIF4E | P06730 | 1/20 | 0.32 |
| ▸ | AMY1A | P0DUB6 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL18464129 | 0.92 | CYP2A6 (0.38) | PDE3BPDE3AALDH1A1ESR1ESR2 | |
| SCHEMBL21537510 | 0.81 | PDE3B (0.38) | PDE3BPDE3AMEN1KMT2ANFKB1 | |
| SCHEMBL21935453 | 0.80 | PDE3B (0.38) | PDE3BPDE3ADHODH | |
| SCHEMBL18464809 | 0.78 | CYP1A2 (0.46) | ALDH1A1MEN1KMT2AESR1ESR2 | |
| SCHEMBL25070289 | 0.76 | HSD17B1 (0.47) | CYP1A2 | |
| SCHEMBL18464324 | 0.76 | DHODH (0.44) | PDE3BPDE3AKDM4EALDH1A1MEN1 | |
| SCHEMBL18464325 | 0.74 | DHODH (0.46) | PDE3BPDE3AMEN1KMT2ANFKB1 | |
| SCHEMBL18464327 | 0.73 | ESR1 (0.39) | PDE3BPDE3AESR1ESR2DHODH | |
| SCHEMBL20647415 | 0.73 | PDE3B (0.39) | PDE3BPDE3AMEN1KMT2ADHODH | |
| SCHEMBL18963362 | 0.73 | ESR1 (0.50) | PDE3BPDE3AESR1ESR2CYP1A2 |
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-3129829-B1 | LIQUID CRYSTAL MATERIAL | MERCK PATENT GMBH (DE) | 2019-10-30 | — | — | EP | disclosed |