Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.64 |
| ▸ | HDAC4 | P56524 | 7/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | ERCC1 | P07992 | 1/20 | 0.41 |
| ▸ | ERCC4 | Q92889 | 1/20 | 0.41 |
| ▸ | THRB | P10828 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | CA12 | O43570 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | CA1 | P00915 | 1/20 | 0.40 |
| ▸ | CA2 | P00918 | 1/20 | 0.40 |
| ▸ | HMGB1 | P09429 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL3918459 | 0.98 | AKR1C1 (0.62) | AKR1C1HDAC4KMT2AMEN1NPSR1 | |
| SCHEMBL2050986 | 0.96 | AKR1C1 (0.59) | AKR1C1HDAC4KMT2AMEN1NPSR1 | |
| SCHEMBL15108974 | 0.94 | AKR1C1 (0.55) | AKR1C1HDAC4KMT2AMEN1SMN1; SMN2 | |
| SCHEMBL27586088 | 0.83 | AKR1C1 (0.48) | AKR1C1HDAC4KMT2AMEN1NPSR1 | |
| SCHEMBL9188088 | 0.81 | AKR1C1 (0.47) | AKR1C1HDAC4KMT2AMEN1SMN1; SMN2 | |
| SCHEMBL23920039 | 0.80 | AKR1C1 (0.60) | AKR1C1HDAC4KMT2AMEN1NPSR1 | |
| SCHEMBL31580968 | 0.80 | HDAC4 (0.67) | AKR1C1HDAC4SMN1; SMN2HTTTHRB | |
| SCHEMBL27730585 | 0.80 | HDAC4 (0.67) | AKR1C1HDAC4KMT2AMEN1NPSR1 | |
| SCHEMBL5129611 | 0.80 | AKR1C1 (0.46) | AKR1C1HDAC4KMT2ATHRBTDP1 | |
| SCHEMBL3184587 | 0.80 | HDAC4 (0.67) | AKR1C1HDAC4SMN1; SMN2HTTTHRB |
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-2011037929-A2 | PD(II)-CATALYZED HYDROXYLATION OF ARENES WITH O2 OR AIR | THE SCRIPPS RESEARCH INSTITUTE (US) | 2011-03-31 | — | — | WO | disclosed |