Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRM1 | P11229 | 2/20 | 0.49 |
| ▸ | TSHR | P16473 | 1/20 | 0.47 |
| ▸ | KCNH2 | Q12809 | 5/20 | 0.45 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.45 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.45 |
| ▸ | EPHX2 | P34913 | 3/20 | 0.44 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.42 |
| ▸ | NAMPT | P43490 | 1/20 | 0.41 |
| ▸ | ABL1 | P00519 | 1/20 | 0.41 |
| ▸ | MLLT1 | Q03111 | 1/20 | 0.41 |
| ▸ | PPARG | P37231 | 1/20 | 0.40 |
| ▸ | PPARA | Q07869 | 1/20 | 0.40 |
| ▸ | PTGER4 | P35408 | 2/20 | 0.40 |
| ▸ | HTR2C | P28335 | 1/20 | 0.40 |
| ▸ | SCN3A | Q9NY46 | 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 | |
|---|---|---|---|---|
| SCHEMBL14965591 | 0.92 | CHRM3 (0.47) | CHRM1TSHRKCNH2HDAC4HDAC6 | |
| SCHEMBL14965959 | 0.91 | KCNH2 (0.53) | CHRM1TSHRKCNH2ALDH1A1ABL1 | |
| SCHEMBL14966147 | 0.91 | KCNH2 (0.53) | CHRM1TSHRKCNH2ALDH1A1ABL1 | |
| SCHEMBL14965538 | 0.90 | HDAC4 (0.49) | TSHRHDAC4HDAC6ALDH1A1MLLT1 | |
| SCHEMBL14965611 | 0.90 | TSHR (0.61) | TSHRHDAC4HDAC6EPHX2NR1H4 | |
| SCHEMBL14966124 | 0.89 | CHRM1 (0.54) | CHRM1TSHRKCNH2ALDH1A1NAMPT | |
| SCHEMBL14965842 | 0.89 | CHRM1 (0.59) | CHRM1TSHRKCNH2ALDH1A1ABL1 | |
| SCHEMBL14965754 | 0.89 | TSHR (0.47) | CHRM1TSHRHDAC4HDAC6ALDH1A1 | |
| SCHEMBL14965800 | 0.88 | ALDH1A1 (0.58) | TSHRKCNH2HDAC4HDAC6ALDH1A1 | |
| SCHEMBL14965548 | 0.87 | CHRM1 (0.52) | CHRM1KCNH2 |
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 2 patents. 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 | claimed |
| WO-2013072903-A1 | NITROIMIDAZOXADIAZOCINE COMPOUNDS | ITHEMBA PHARMACEUTICALS (PROPRIETARY) LIMITED (ZA) | 2013-05-23 | — | — | WO | disclosed |