Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.69 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.69 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.59 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.59 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.57 |
| ▸ | POLB | P06746 | 1/20 | 0.57 |
| ▸ | HTT | P42858 | 1/20 | 0.57 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.55 |
| ▸ | PABPC1 | P11940 | 1/20 | 0.54 |
| ▸ | KLK7 | P49862 | 1/20 | 0.50 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.49 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.48 |
| ▸ | HTR3A | P46098 | 1/20 | 0.48 |
| ▸ | GAA | P10253 | 1/20 | 0.47 |
| ▸ | NPC1 | O15118 | 1/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.46 |
| ▸ | UCHL1 | P09936 | 2/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL15349958 | 0.90 | ALDH1A1 (0.61) | ALDH1A1SMN1; SMN2MAPK1KDM4ENPSR1 | |
| SCHEMBL10522174 | 0.90 | ALDH1A1 (0.61) | ALDH1A1SMN1; SMN2MAPK1KDM4ENPSR1 | |
| SCHEMBL5259296 | 0.82 | ALDH1A1 (1.00) | ALDH1A1SMN1; SMN2MAPK1KDM4ENPSR1 | |
| SCHEMBL2747664 | 0.82 | ALDH1A1 (1.00) | ALDH1A1SMN1; SMN2MAPK1KDM4ENPSR1 | |
| SCHEMBL1697463 | 0.82 | ALDH1A1 (1.00) | ALDH1A1SMN1; SMN2MAPK1KDM4ENPSR1 | |
| SCHEMBL7318246 | 0.81 | PREP (0.60) | ALDH1A1KDM4ENPSR1L3MBTL1KLK7 | |
| SCHEMBL7429985 | 0.81 | PREP (0.60) | ALDH1A1KDM4ENPSR1L3MBTL1KLK7 | |
| SCHEMBL7286305 | 0.80 | HSD17B10 (0.61) | ALDH1A1SMN1; SMN2KDM4ENPSR1POLB | |
| SCHEMBL19414808 | 0.80 | HSD17B10 (0.61) | ALDH1A1SMN1; SMN2KDM4ENPSR1POLB | |
| SCHEMBL895773 | 0.80 | HSD17B10 (0.61) | ALDH1A1SMN1; SMN2KDM4ENPSR1POLB |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0267723-B1 | New substituted cephalosporin sulfones as anti-inflammatory and anti-degenerative agents | MERCK & CO INC (US) | 1996-02-07 | — | — | EP | disclosed |
| US-5364848-A | Elastase inhibitors | MERCK & CO., INC. (US) | 1994-11-15 | — | — | US | disclosed |
| US-5132301-A | Substituted cephalosporin sulfones as anti-inflammatory and anti-degenerative agents | MERCK & CO., INC. (US) | 1992-07-21 | — | — | US | disclosed |
| EP-0267723-A2 | New substituted cephalosporin sulfones as anti-inflammatory and anti-degenerative agents | MERCK & CO. INC. (US) | 1988-05-18 | — | — | EP | disclosed |