Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.44 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.41 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.41 |
| ▸ | MLLT1 | Q03111 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.38 |
| ▸ | MEN1 | O00255 | 2/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | MMP13 | P45452 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL14966210 | 0.93 | ALDH1A1 (0.43) | TSHRALDH1A1HDAC4HDAC6KMT2A | |
| SCHEMBL14966151 | 0.91 | CHRM3 (0.42) | TSHRALDH1A1HDAC4HDAC6MAPT | |
| SCHEMBL14965982 | 0.91 | HIF1A (0.47) | ALDH1A1KDM4EKMT2AMEN1MAPT | |
| SCHEMBL14965611 | 0.90 | TSHR (0.61) | TSHRALDH1A1HDAC4HDAC6MLLT1 | |
| SCHEMBL14966015 | 0.89 | CHRM1 (0.44) | ALDH1A1KMT2AMEN1MAPTSMN1; SMN2 | |
| SCHEMBL14965737 | 0.89 | CHRM1 (0.49) | TSHRALDH1A1HDAC4HDAC6MLLT1 | |
| SCHEMBL14965800 | 0.88 | ALDH1A1 (0.58) | TSHRALDH1A1HDAC4HDAC6MLLT1 | |
| SCHEMBL14965538 | 0.87 | HDAC4 (0.49) | TSHRALDH1A1HDAC4HDAC6MLLT1 | |
| SCHEMBL14965804 | 0.87 | KMT2A (0.41) | TSHRALDH1A1KMT2AMEN1SMN1; SMN2 | |
| SCHEMBL14966186 | 0.87 | ALDH1A1 (0.48) | TSHRALDH1A1HDAC4HDAC6MLLT1 |
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-2013072903-A1 | NITROIMIDAZOXADIAZOCINE COMPOUNDS | ITHEMBA PHARMACEUTICALS (PROPRIETARY) LIMITED (ZA) | 2013-05-23 | — | — | WO | disclosed |