Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 6/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.45 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.45 |
| ▸ | PRKDC | P78527 | 1/20 | 0.45 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.45 |
| ▸ | ERN1 | O75460 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 2/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.40 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 2/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | TRIM24 | O15164 | 1/20 | 0.38 |
| ▸ | TYR | P14679 | 1/20 | 0.38 |
| ▸ | TRIM33 | Q9UPN9 | 1/20 | 0.38 |
| ▸ | TLR9 | Q9NR96 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL30766429 | 0.84 | ALDH1A1 (0.60) | BACE1MAPTALDH1A1CYP3A4KDM4E | |
| SCHEMBL1161468 | 0.84 | ALDH1A1 (0.60) | BACE1MAPTALDH1A1CYP3A4KDM4E | |
| SCHEMBL9700757 | 0.81 | SMN1; SMN2 (0.45) | BACE1MAPTALDH1A1CYP3A4KDM4E | |
| Ethylene SCHEMBL8310436 | 0.80 | ERN1 (0.44) | MAPTALDH1A1CYP3A4KDM4EHSD17B10 | |
| 2-Nitrobenzaldehyde SCHEMBL9010354 | 0.78 | ERN1 (0.46) | MAPTALDH1A1KDM4EERN1LMNA | |
| SCHEMBL6117534 | 0.77 | MAPT (0.63) | MAPTALDH1A1CYP3A4KDM4EALOX15 | |
| 2-Nitrobenzaldehyde SCHEMBL10457932 | 0.77 | ERN1 (0.43) | MAPTALDH1A1KDM4EERN1LMNA | |
| SCHEMBL9050387 | 0.76 | ALDH1A1 (0.47) | MAPTALDH1A1CYP3A4KDM4EALOX15 | |
| SCHEMBL5162106 | 0.75 | ERN1 (0.44) | MAPTALDH1A1CYP3A4KDM4EALOX15 | |
| SCHEMBL3924348 | 0.75 | ALDH1A1 (0.71) | MAPTALDH1A1CYP3A4KDM4EHSD17B10 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0868180-A4 | ENDOTHELIN RECEPTOR ANTAGONISTS | SMITHKLINE BEECHAM CORP (US) | 1999-08-04 | — | — | EP | disclosed |
| EP-0868180-A1 | ENDOTHELIN RECEPTOR ANTAGONISTS | SMITHKLINE BEECHAM CORPORATION (US) | 1998-10-07 | — | — | EP | disclosed |
| WO-1997022341-A1 | ENDOTHELIN RECEPTOR ANTAGONISTS | SMITHKLINE BEECHAM CORPORATION (US) | 1997-06-26 | — | — | WO | disclosed |