Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PREP | P48147 | 3/20 | 0.45 |
| ▸ | TP53 | P04637 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 3/20 | 0.42 |
| ▸ | MEN1 | O00255 | 2/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.41 |
| ▸ | HPGD | P15428 | 2/20 | 0.41 |
| ▸ | ABCB1 | P08183 | 2/20 | 0.40 |
| ▸ | MAPT | P10636 | 2/20 | 0.40 |
| ▸ | APP | P05067 | 1/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 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 | |
|---|---|---|---|---|
| SCHEMBL11787179 | 0.83 | MEN1 (0.47) | TSHRMEN1KMT2AALDH1A1HPGD | |
| SCHEMBL9952002 | 0.81 | MEN1 (0.45) | SMN1; SMN2TSHRMEN1KMT2AALDH1A1 | |
| SCHEMBL9959297 | 0.79 | HDAC4 (0.49) | TSHRMEN1KMT2AALDH1A1MAPT | |
| SCHEMBL9958850 | 0.79 | MEN1 (0.43) | TSHRMEN1KMT2AALDH1A1KDM4E | |
| SCHEMBL9958546 | 0.78 | TSHR (0.48) | TP53TSHRALDH1A1MAPTNPSR1 | |
| SCHEMBL10153637 | 0.78 | KCNA5 (0.42) | TSHRMEN1KMT2AALDH1A1MAPT | |
| SCHEMBL9959313 | 0.77 | KCNA5 (0.48) | SMN1; SMN2MEN1KMT2AALDH1A1HPGD | |
| SCHEMBL9953816 | 0.77 | MAPT (0.42) | TSHRMEN1KMT2AALDH1A1KDM4E | |
| SCHEMBL10153664 | 0.77 | TSHR (0.46) | SMN1; SMN2TSHRMEN1KMT2AALDH1A1 | |
| SCHEMBL9960452 | 0.76 | KCNA5 (0.46) | MEN1KMT2AMAPT |
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-2012085003-A1 | 2-HYDROXYISOQUINOLINE-1,3(2H,4H)-DIONES AND RELATED COMPOUNDS USEFUL AS HIV REPLICATION INHIBITORS | KATHOLIEKE UNIVERSITEIT LEUVEN, K.U. LEUVEN R&D (BE) | 2012-06-28 | — | — | WO | disclosed |