Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSD | P07339 | 1/20 | 0.43 |
| ▸ | CA12 | O43570 | 1/20 | 0.42 |
| ▸ | CA1 | P00915 | 1/20 | 0.42 |
| ▸ | CA9 | Q16790 | 1/20 | 0.42 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.40 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.40 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.40 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.40 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.40 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.39 |
| ▸ | GSTK1 | Q9Y2Q3 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | THRB | P10828 | 1/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.38 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.38 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.38 |
| ▸ | THPO | P40225 | 1/20 | 0.38 |
| ▸ | RECQL | P46063 | 1/20 | 0.38 |
| ▸ | BLM | P54132 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL9665943 | 0.87 | FAAH (0.53) | NOD1MEN1FAAHMAPK1KMT2A | |
| SCHEMBL25446447 | 0.86 | KDM4E (0.44) | CTSDHDAC3HDAC1HDAC2HDAC8 | |
| SCHEMBL5655785 | 0.86 | FAAH (0.56) | NOD1MEN1FAAHMAPK1KMT2A | |
| SCHEMBL9664369 | 0.86 | FAAH (0.56) | NOD1MEN1FAAHMAPK1KMT2A | |
| SCHEMBL9666384 | 0.86 | FAAH (0.56) | NOD1MEN1FAAHMAPK1KMT2A | |
| SCHEMBL9666527 | 0.86 | FAAH (0.56) | NOD1MEN1FAAHMAPK1KMT2A | |
| SCHEMBL18018773 | 0.84 | CYP2C9 (0.42) | CA12CA1CA9PTGS1GSTK1 | |
| SCHEMBL929549 | 0.84 | PTGS1 (0.41) | CA12CA1CA9PTGS1GSTK1 | |
| SCHEMBL24230592 | 0.84 | CYP2C9 (0.42) | CA12CA1CA9PTGS1GSTK1 | |
| Propionamide SCHEMBL28756957 | 0.84 | CA12 (0.36) | CA12CA1CA9PTGS1GSTK1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2012048033-A2 | NOVEL COMPOSITIONS FOR INHIBITING VIRUS ENTRY AND PROMOTING VIROLYISIS, AND METHODS THEREOF | DREXEL UNIVERSITY (US) | 2012-04-12 | — | — | WO | disclosed |