Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.54 |
| ▸ | MAPT | P10636 | 4/20 | 0.54 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.54 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.54 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.54 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.51 |
| ▸ | NPBWR1 | P48145 | 1/20 | 0.50 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.47 |
| ▸ | TP53 | P04637 | 3/20 | 0.47 |
| ▸ | ATM | Q13315 | 2/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.47 |
| ▸ | MEN1 | O00255 | 1/20 | 0.47 |
| ▸ | LMNA | P02545 | 1/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | GAA | P10253 | 1/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.47 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL7438151 | 0.94 | MAPT (0.50) | ALDH1A1MAPTALOX15KDM4EHSD17B10 | |
| SCHEMBL14457019 | 0.88 | ALDH1A1 (0.61) | ALDH1A1MAPTALOX15KDM4EHSD17B10 | |
| SCHEMBL13675806 | 0.84 | MAPT (0.50) | ALDH1A1MAPTALOX15SMN1; SMN2NPBWR1 | |
| SCHEMBL13675544 | 0.84 | MAPT (0.50) | ALDH1A1MAPTALOX15SMN1; SMN2NPBWR1 | |
| SCHEMBL431571 | 0.78 | NPBWR1 (0.54) | ALDH1A1MAPTALOX15SMN1; SMN2NPBWR1 | |
| SCHEMBL11782973 | 0.77 | MAPT (0.56) | ALDH1A1MAPTALOX15SMN1; SMN2NPBWR1 | |
| SCHEMBL185581 | 0.75 | SMN1; SMN2 (0.61) | ALDH1A1MAPTALOX15KDM4EHSD17B10 | |
| SCHEMBL5512074 | 0.75 | MAPT (0.52) | ALDH1A1MAPTALOX15SMN1; SMN2NPBWR1 | |
| SCHEMBL15957077 | 0.75 | SMN1; SMN2 (0.65) | ALDH1A1MAPTALOX15KDM4EHSD17B10 | |
| SCHEMBL16521856 | 0.75 | CYP3A4 (0.44) | ALDH1A1MAPTALOX15KDM4EHSD17B10 |
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 |
|---|---|---|---|---|---|---|---|
| US-5229381-A | Inhibitors of leukocyte enzyme elastase | MERCK & CO., INC. (US) | 1993-07-20 | — | — | US | disclosed |
| EP-0481671-A1 | New substituted azetidinones as anti-inflammatory and antidegenerative agents | MERCK & CO. INC. (US) | 1992-04-22 | — | — | EP | disclosed |