Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGES2 | Q9H7Z7 | 3/20 | 0.50 |
| ▸ | PFKFB3 | Q16875 | 1/20 | 0.49 |
| ▸ | ACLY | P53396 | 1/20 | 0.47 |
| ▸ | CA1 | P00915 | 1/20 | 0.46 |
| ▸ | CA2 | P00918 | 1/20 | 0.46 |
| ▸ | MMP1 | P03956 | 1/20 | 0.46 |
| ▸ | MMP2 | P08253 | 1/20 | 0.46 |
| ▸ | MMP9 | P14780 | 1/20 | 0.46 |
| ▸ | MMP8 | P22894 | 1/20 | 0.46 |
| ▸ | MMP13 | P45452 | 1/20 | 0.46 |
| ▸ | EDNRB | P24530 | 3/20 | 0.46 |
| ▸ | EDNRA | P25101 | 3/20 | 0.46 |
| ▸ | PGR | P06401 | 1/20 | 0.45 |
| ▸ | PTPN1 | P18031 | 2/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.45 |
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
| ▸ | NPC1 | O15118 | 1/20 | 0.45 |
| ▸ | LMNA | P02545 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 1/20 | 0.45 |
| ▸ | HPGD | P15428 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| Trifluoroacetic Acid SCHEMBL28160349 | 0.92 | PFKFB3 (0.50) | PTGES2PFKFB3ACLYCA1CA2 | |
| SCHEMBL1068742 | 0.84 | MMP1 (0.50) | ACLYCA1CA2MMP1MMP2 | |
| SCHEMBL302571 | 0.83 | GAA (0.55) | CA1CA2MMP1MMP2MMP9 | |
| SCHEMBL28783847 | 0.83 | MAPT (0.67) | PTGES2PFKFB3EDNRBEDNRAPGR | |
| Hydrochloric Acid SCHEMBL16015051 | 0.82 | MMP1 (0.49) | ACLYCA1CA2MMP1MMP2 | |
| Hydrochloric Acid SCHEMBL2640192 | 0.81 | GAA (0.54) | CA1CA2MMP1MMP2MMP9 | |
| SCHEMBL13485830 | 0.78 | CA1 (0.69) | PTGES2PFKFB3ACLYCA1CA2 | |
| SCHEMBL5899418 | 0.77 | PFKFB3 (0.54) | PTGES2PFKFB3ACLYKDM4EMEN1 | |
| SCHEMBL5250778 | 0.77 | KMT2A (0.46) | CA1CA2MMP1MMP2MMP9 | |
| SCHEMBL30437048 | 0.77 | PTGES2 (0.58) | PTGES2PFKFB3CA1CA2MMP1 |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2451285-A1 | PLATELET-ACTIVATING FACTOR RECEPTOR ANTAGONISTS | Merck Sharp & Dohme Corp. (US) | 2012-05-16 | — | — | EP | claimed |
| WO-2011005608-A1 | PLATELET-ACTIVATING FACTOR RECEPTOR ANTAGONISTS | MERCK SHARP & DOHME CORP. (US) | 2011-01-13 | — | — | WO | claimed |
| CN-105102449-B | Antiviral compound | 豪夫迈·罗氏有限公司 | 2017-06-13 | — | — | CN | disclosed |
| EP-3096754-A1 | METALLO-BETA-LACTAMASE INHIBITORS | Merck Sharp & Dohme Corp. (US) | 2016-11-30 | — | — | EP | disclosed |
| EP-2964635-A1 | ANTIVIRAL COMPOUNDS | F. Hoffmann-La Roche AG (CH) | 2016-01-13 | — | — | EP | disclosed |
| WO-2015112441-A1 | METALLO-BETA-LACTAMASE INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2015-07-30 | — | — | WO | disclosed |
| WO-2014135495-A1 | ANTIVIRAL COMPOUNDS | F. HOFFMANN-LA ROCHE AG (CH) | 2014-09-12 | — | — | WO | disclosed |