Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTT | P42858 | 3/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | MAPT | P10636 | 4/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.37 |
| ▸ | KCNH2 | Q12809 | 4/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.36 |
| ▸ | LMNA | P02545 | 5/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 2/20 | 0.32 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | MITF | O75030 | 1/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL14965372 | 0.84 | KCNH2 (0.38) | HTTMAPTCYP2C9KCNH2ALDH1A1 | |
| SCHEMBL14966258 | 0.83 | KMT2A (0.46) | HTTKMT2AALDH1A1LMNAMAPK1 | |
| SCHEMBL1046316 | 0.83 | CHRM1 (0.40) | KMT2AMAPTKCNH2ALDH1A1LMNA | |
| SCHEMBL14965648 | 0.82 | PKM (0.45) | KMT2AALDH1A1LMNAMAPK1GAA | |
| SCHEMBL14966092 | 0.82 | LMNA (0.42) | KCNH2LMNAPOLB | |
| SCHEMBL14966069 | 0.81 | PKM (0.46) | HTTKMT2AMAPTALDH1A1LMNA | |
| SCHEMBL14966078 | 0.81 | PKM (0.52) | HTTKMT2AMAPTALDH1A1LMNA | |
| SCHEMBL14966236 | 0.79 | PKM (0.49) | HTTKMT2AMAPTALDH1A1GAA | |
| SCHEMBL3469461 | 0.78 | CHRM1 (0.39) | KMT2AMAPTKCNH2ALDH1A1LMNA | |
| SCHEMBL14965869 | 0.74 | ALDH1A1 (0.41) | KMT2AMAPTKCNH2ALDH1A1LMNA |
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 |