Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | THRB | P10828 | 2/20 | 0.40 |
| ▸ | BLM | P54132 | 2/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.40 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.40 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.40 |
| ▸ | THPO | P40225 | 1/20 | 0.40 |
| ▸ | RECQL | P46063 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | SLC6A5 | Q9Y345 | 1/20 | 0.40 |
| ▸ | DNM1 | Q05193 | 1/20 | 0.38 |
| ▸ | NMT2 | O60551 | 1/20 | 0.37 |
| ▸ | NMT1 | P30419 | 1/20 | 0.37 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.37 |
| ▸ | GSTK1 | Q9Y2Q3 | 1/20 | 0.37 |
| ▸ | FNTA | P49354 | 3/20 | 0.36 |
| ▸ | FNTB | P49356 | 3/20 | 0.36 |
| ▸ | PGGT1B | P53609 | 1/20 | 0.36 |
| ▸ | ENPEP | Q07075 | 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 | |
|---|---|---|---|---|
| SCHEMBL29511237 | 0.84 | THRB (0.50) | THRBBLMKDM4EMAPTALOX15 | |
| SCHEMBL29511181 | 0.84 | THRB (0.50) | THRBBLMKDM4EMAPTALOX15 | |
| SCHEMBL25794312 | 0.80 | PTGS1 (0.46) | SLC6A5NMT2NMT1PTGS1GSTK1 | |
| SCHEMBL25446447 | 0.79 | KDM4E (0.44) | THRBBLMKDM4EMAPTALOX15 | |
| SCHEMBL14049336 | 0.79 | KDM4E (0.44) | THRBBLMKDM4EMAPTALOX15 | |
| SCHEMBL13471898 | 0.79 | SLC6A5 (0.41) | SLC6A5NMT2NMT1FNTAFNTB | |
| SCHEMBL13471894 | 0.78 | SLC6A5 (0.46) | SLC6A5NMT2NMT1PAOXCPB2 | |
| SCHEMBL14854291 | 0.77 | SLC6A5 (0.55) | THRBBLMKDM4EMAPTALOX15 | |
| SCHEMBL14854303 | 0.77 | SLC6A5 (0.55) | THRBBLMKDM4EMAPTALOX15 | |
| SCHEMBL16187730 | 0.77 | SLC6A5 (0.55) | THRBBLMKDM4EMAPTALOX15 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2078033-B1 | ISOTOPICALLY LABELED TRAPPING AGENT AND METHOD FOR IDENTIFYING REACTIVE METABOLITES | JANSSEN PHARMACEUTICA NV (BE) | 2011-03-09 | — | — | EP | disclosed |