Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES1 | P23141 | 2/20 | 0.42 |
| ▸ | CES2 | O00748 | 1/20 | 0.42 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.42 |
| ▸ | CFTR | P13569 | 1/20 | 0.39 |
| ▸ | GOPC | Q9HD26 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 2/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.38 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.38 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.37 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | FNTA | P49354 | 1/20 | 0.37 |
| ▸ | FNTB | P49356 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | APAF1 | O14727 | 1/20 | 0.36 |
| ▸ | TDP2 | O95551 | 1/20 | 0.36 |
| ▸ | NSD2 | O96028 | 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 | |
|---|---|---|---|---|
| SCHEMBL27293995 | 0.80 | CES1 (0.64) | CES1CES2AKR1B1MEN1KMT2A | |
| SCHEMBL1493 | 0.80 | CES1 (0.64) | CES1CES2AKR1B1MEN1KMT2A | |
| Hydrochloric Acid SCHEMBL3047868 | 0.78 | CES1 (0.61) | CES1CES2AKR1B1MEN1KMT2A | |
| Hydrogen Sulfide SCHEMBL27809609 | 0.78 | CES1 (0.61) | CES1CES2AKR1B1MEN1KMT2A | |
| SCHEMBL7635908 | 0.78 | CFTR (0.56) | CFTRGOPCMEN1KMT2AMAPT | |
| Hydrochloric Acid SCHEMBL29120664 | 0.76 | CES1 (0.58) | CES1CES2AKR1B1MEN1KMT2A | |
| Methyl Alcohol SCHEMBL3883089 | 0.76 | CES1 (0.58) | CES1CES2AKR1B1MEN1KMT2A | |
| Ethane SCHEMBL10956080 | 0.76 | CES1 (0.58) | CES1CES2AKR1B1MEN1KMT2A | |
| Methylene Chloride SCHEMBL27366334 | 0.76 | CES1 (0.58) | CES1CES2AKR1B1MEN1KMT2A | |
| SCHEMBL9304904 | 0.75 | CFTR (0.54) | CFTRGOPCMEN1KMT2AMAPT |
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 |
|---|---|---|---|---|---|---|---|
| US-4343937-A | ANTIBIOTICS, BACTERICIDES | MERCK & CO., INC. (US) | 1982-08-10 | — | — | US | disclosed |
| US-4342869-A | Cephalosporin antibiotics | MERCK & CO., INC. (US) | 1982-08-03 | — | — | US | disclosed |
| US-4342757-A | Cephalosporin antibiotic compositions | MERCK & CO., INC. (US) | 1982-08-03 | — | — | US | disclosed |
| US-4338437-A | Cephalosporin antibiotics | MERCK & CO., INC. (US) | 1982-07-06 | — | — | US | disclosed |
| US-4338438-A | Cephalosporin antibiotics | MERCK & CO., INC. (US) | 1982-07-06 | — | — | US | disclosed |
| US-4324890-A | ANTIBIOTICS, BACTERICIDES | MERCK & CO., INC. (US) | 1982-04-13 | — | — | US | disclosed |