Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 5/20 | 0.49 |
| ▸ | ESR2 | Q92731 | 5/20 | 0.49 |
| ▸ | CYP2A6 | P11509 | 3/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.48 |
| ▸ | PDE3B | Q13370 | 2/20 | 0.43 |
| ▸ | PDE3A | Q14432 | 2/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
| ▸ | PTGS2 | P35354 | 3/20 | 0.41 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.40 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.40 |
| ▸ | MAOB | P27338 | 1/20 | 0.40 |
| ▸ | RPS6KA3 | P51812 | 2/20 | 0.40 |
| ▸ | AKR1C3 | P42330 | 2/20 | 0.39 |
| ▸ | AKR1C2 | P52895 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL18963362 | 0.89 | ESR1 (0.50) | ESR1ESR2CYP2A6CYP1A2PDE3B | |
| SCHEMBL4567630 | 0.88 | PDE3B (0.50) | ESR1ESR2PDE3BPDE3ATDP1 | |
| SCHEMBL22566569 | 0.88 | AKR1C3 (0.49) | ESR1ESR2CYP2A6CYP1A2PDE3B | |
| SCHEMBL13444659 | 0.86 | PDE3B (0.47) | PDE3BPDE3APTGS2PTGS1RPS6KA3 | |
| SCHEMBL170435 | 0.86 | PDE3B (0.49) | ESR1ESR2PDE3BPDE3APTGS2 | |
| SCHEMBL22055929 | 0.85 | ESR1 (0.46) | ESR1ESR2CYP2A6CYP1A2TDP1 | |
| SCHEMBL4567629 | 0.84 | PDE3B (0.48) | ESR1ESR2PDE3BPDE3APTGS2 | |
| SCHEMBL803426 | 0.84 | PDE3B (0.48) | ESR1ESR2PDE3BPDE3APTGS2 | |
| SCHEMBL10018702 | 0.84 | PTGS2 (0.48) | ESR1ESR2PDE3BPDE3ATDP1 | |
| SCHEMBL3165527 | 0.84 | CYP1A2 (0.43) | ESR1ESR2CYP2A6CYP1A2PDE3B |
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-3387090-B1 | NAPHTHALENE COMPOUNDS FOR LIQUID-CRYSTALLINE MIXTURES | MERCK PATENT GMBH (DE) | 2020-06-03 | — | — | EP | disclosed |