Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABCG2 | Q9UNQ0 | 2/20 | 0.65 |
| ▸ | AHR | P35869 | 1/20 | 0.63 |
| ▸ | MAOB | P27338 | 2/20 | 0.61 |
| ▸ | BCHE | P06276 | 7/20 | 0.60 |
| ▸ | ACHE | P22303 | 5/20 | 0.60 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.59 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.59 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.59 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.59 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.58 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.58 |
| ▸ | LMNA | P02545 | 1/20 | 0.58 |
| ▸ | MAPT | P10636 | 1/20 | 0.58 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.58 |
| ▸ | DPP4 | P27487 | 1/20 | 0.56 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.56 |
| ▸ | EGFR | P00533 | 1/20 | 0.56 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.56 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.56 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.56 |
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 | |
|---|---|---|---|---|
| SCHEMBL8161646 | 1.00 | ABCG2 (0.65) | ABCG2AHRMAOBBCHEACHE | |
| SCHEMBL10534582 | 0.89 | ABCG2 (0.74) | ABCG2MAOBBCHEACHEALDH1A1 | |
| SCHEMBL10534587 | 0.89 | ABCG2 (0.74) | ABCG2MAOBBCHEACHEALDH1A1 | |
| SCHEMBL1425221 | 0.87 | ABCG2 (0.74) | ABCG2AHRMAOBBCHEACHE | |
| SCHEMBL1425218 | 0.87 | ABCG2 (0.74) | ABCG2AHRMAOBBCHEACHE | |
| SCHEMBL23788887 | 0.87 | ABCG2 (0.84) | ABCG2MAOBBCHEACHECYP1A1 | |
| SCHEMBL7201653 | 0.85 | ABCG2 (0.62) | ABCG2AHRMAOBBCHEACHE | |
| SCHEMBL7201660 | 0.85 | ABCG2 (0.62) | ABCG2AHRMAOBBCHEACHE | |
| SCHEMBL9239751 | 0.85 | ABCG2 (0.81) | ABCG2MAOBBCHEACHECYP1A1 | |
| SCHEMBL8148755 | 0.84 | MAPT (0.78) | ABCG2CYP1A1CYP1A2CYP2D6CYP1B1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0996432-A2 | BIOLOGICALLY ACTIVE 1,3-BIS-AROMATIC-PROP-2-EN-1-ONES, 1,3-BIS-AROMATIC-PROPAN-1-ONES, AND 1,3-BIS-AROMATIC-PROP-2-YN-1-ONES | STATENS SERUMINSTITUT (DK) | 2000-05-03 | — | — | EP | disclosed |
| WO-1999000114-A2 | BIOLOGICALLY ACTIVE 1,3-BIS-AROMATIC-PROP-2-EN-1-ONES, 1,3-BIS-AROMATIC-PROPAN-1-ONES, AND 1,3-BIS-AROMATIC-PROP-2-YN-1-ONES | STATENS SERUM INSTITUT (DK) | 1999-01-07 | — | — | WO | disclosed |