Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2A | P28223 | 1/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.42 |
| ▸ | MEN1 | O00255 | 2/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.42 |
| ▸ | HPGD | P15428 | 2/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | GLA | P06280 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | GPR84 | Q9NQS5 | 1/20 | 0.40 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.39 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.39 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.39 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.36 |
| ▸ | FYN | P06241 | 1/20 | 0.36 |
| ▸ | MAOA | P21397 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL8211958 | 0.83 | NQO1 (0.45) | HTR2AL3MBTL1CYP1A2ALDH1A1HSD17B10 | |
| SCHEMBL18949976 | 0.81 | HTR2A (0.42) | HTR2AL3MBTL1CYP1A2ALDH1A1HSD17B10 | |
| SCHEMBL8207670 | 0.80 | MAPT (0.43) | HTR2AL3MBTL1MEN1KMT2AKDM4E | |
| SCHEMBL8211957 | 0.80 | TACR3 (0.42) | HTR2AL3MBTL1CYP1A2ALDH1A1HSD17B10 | |
| SCHEMBL243405 | 0.79 | LMNA (0.47) | HTR2AL3MBTL1CYP1A2ALDH1A1HSD17B10 | |
| SCHEMBL28050927 | 0.79 | HTR2A (0.41) | HTR2AL3MBTL1CYP1A2ALDH1A1HSD17B10 | |
| SCHEMBL10361949 | 0.79 | MAPT (0.45) | L3MBTL1MEN1KMT2AKDM4E | |
| SCHEMBL6266749 | 0.78 | KDM4E (0.53) | CYP1A2ALDH1A1HSD17B10KMT2AHPGD | |
| SCHEMBL4019719 | 0.76 | MEN1 (0.54) | CYP1A2ALDH1A1HSD17B10MEN1KMT2A | |
| SCHEMBL1610411 | 0.75 | HTR2A (0.37) | HTR2AL3MBTL1CYP1A2ALDH1A1HSD17B10 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0979078-A4 | SUBSTITUTED BIS-ACRIDINES AND RELATED COMPOUNDS AS CCR5 RECEPTOR LIGANDS, ANTI-INFLAMMATORY AGENTS AND ANTI-VIRAL AGENTS | SMITHKLINE BEECHAM CORP (US) | 2000-06-21 | — | — | EP | claimed |
| EP-0979078-A1 | SUBSTITUTED BIS-ACRIDINES AND RELATED COMPOUNDS AS CCR5 RECEPTOR LIGANDS, ANTI-INFLAMMATORY AGENTS AND ANTI-VIRAL AGENTS | SMITHKLINE BEECHAM CORPORATION (US) | 2000-02-16 | — | — | EP | claimed |
| WO-1998030218-A1 | SUBSTITUTED BIS-ACRIDINES AND RELATED COMPOUNDS AS CCR5 RECEPTOR LIGANDS, ANTI-INFLAMMATORY AGENTS AND ANTI-VIRAL AGENTS | SMITHKLINE BEECHAM CORPORATION (US) | 1998-07-16 | — | — | WO | claimed |
| EP-0979078-A4 | SUBSTITUTED BIS-ACRIDINES AND RELATED COMPOUNDS AS CCR5 RECEPTOR LIGANDS, ANTI-INFLAMMATORY AGENTS AND ANTI-VIRAL AGENTS | SMITHKLINE BEECHAM CORP (US) | 2000-06-21 | — | — | EP | disclosed |
| EP-0979078-A1 | SUBSTITUTED BIS-ACRIDINES AND RELATED COMPOUNDS AS CCR5 RECEPTOR LIGANDS, ANTI-INFLAMMATORY AGENTS AND ANTI-VIRAL AGENTS | SMITHKLINE BEECHAM CORPORATION (US) | 2000-02-16 | — | — | EP | disclosed |
| WO-1998030218-A1 | SUBSTITUTED BIS-ACRIDINES AND RELATED COMPOUNDS AS CCR5 RECEPTOR LIGANDS, ANTI-INFLAMMATORY AGENTS AND ANTI-VIRAL AGENTS | SMITHKLINE BEECHAM CORPORATION (US) | 1998-07-16 | — | — | WO | disclosed |