Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MGAM | O43451 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | SI | P14410 | 1/20 | 0.39 |
| ▸ | MGAM2 | Q2M2H8 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.37 |
| ▸ | PKM | P14618 | 1/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.34 |
| ▸ | SOAT1 | P35610 | 1/20 | 0.34 |
| ▸ | CAD | P27708 | 1/20 | 0.33 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | GLO1 | Q04760 | 1/20 | 0.32 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.32 |
| ▸ | ADH1B | P00325 | 1/20 | 0.32 |
| ▸ | ADH1C | P00326 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL10913361 | 1.00 | MGAM (0.39) | MGAMGAASIMGAM2ALDH1A1 | |
| SCHEMBL10998341 | 0.98 | MGAM (0.38) | MGAMGAASIMGAM2ALDH1A1 | |
| SCHEMBL11013207 | 0.89 | LMNA (0.40) | MGAMGAASIMGAM2ALDH1A1 | |
| Butane SCHEMBL11012328 | 0.87 | LMNA (0.38) | MGAMGAASIMGAM2PKM | |
| SCHEMBL22769343 | 0.81 | MGAM (0.41) | MGAMGAASIMGAM2ALDH1A1 | |
| SCHEMBL10912548 | 0.80 | SMN1; SMN2 (0.37) | GAAHCAR2SMN1; SMN2ADH1BADH1C | |
| SCHEMBL31173624 | 0.79 | MGAM (0.39) | MGAMGAASIMGAM2ALDH1A1 | |
| SCHEMBL837941 | 0.78 | MGAM (0.42) | MGAMGAASIMGAM2ALDH1A1 | |
| SCHEMBL10915287 | 0.78 | CAD (0.40) | MGAMGAASIMGAM2ALDH1A1 | |
| SCHEMBL9745192 | 0.77 | ALDH1A1 (0.37) | MGAMGAASIMGAM2ALDH1A1 |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4997955-A | From aldehyde | BASF AKTIENGESELLSCHAFT (DE) | 1991-03-05 | — | — | US | disclosed |
| EP-0088395-B1 | A PROCESS FOR THE PREPARATION OF PYRAZINE DERIVATIVES | FARMITALIA CARLO ERBA S.p.A. (IT) | 1986-07-16 | — | — | EP | disclosed |
| US-4546106-A | ANTIARTHRITIC AGENTS | MERCK & CO., INC. (US) | 1985-10-08 | — | — | US | disclosed |
| US-4355034-A | Ethenyl derivatives of mercaptoalkylpyridines as anti-inflammatory agents | MERCK & CO., INC. (US) | 1982-10-19 | — | — | US | disclosed |
| US-4217352-A | ANTIARTHRITIC AGENT | MERCK & CO., INC. (US) | 1980-08-12 | — | — | US | disclosed |
| US-4144342-A | ANTIARTHRITIC AND ANTIINFLAMMATORY AGENTS | MERCK & CO., INC. (US) | 1979-03-13 | — | — | US | disclosed |
| US-4061759-A | ANTIINFLAMMATORY, ARTHRITIS | MERCK & CO., INC. (US) | 1977-12-06 | — | — | US | disclosed |
| US-4053606-A | ANTIINFLAMMATORY AND ANTIARTHRITIC AGENTS | MERCK & CO., INC. (US) | 1977-10-11 | — | — | US | disclosed |