Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MCHR1 | Q99705 | 1/20 | 0.41 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.41 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.40 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.40 |
| ▸ | TAS1R2 | Q8TE23 | 1/20 | 0.40 |
| ▸ | KCNH2 | Q12809 | 4/20 | 0.38 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.38 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.36 |
| ▸ | HPGDS | O60760 | 2/20 | 0.36 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.36 |
| ▸ | CCR2 | P41597 | 2/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | TMEM97 | Q5BJF2 | 1/20 | 0.35 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.35 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.35 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL14965709 | 0.91 | CHRM1 (0.46) | MCHR1CHRM1KCNH2HPGDSEPHX2 | |
| SCHEMBL14965728 | 0.83 | EPHX2 (0.47) | CHRM1EPHX2 | |
| SCHEMBL14965973 | 0.83 | CHRM1 (0.51) | MCHR1CHRM1KCNH2EPHX2TMEM97 | |
| SCHEMBL14965608 | 0.79 | CHRM1 (0.48) | CHRM1KCNH2EPHX2PTGS1SLC6A2 | |
| SCHEMBL14966094 | 0.79 | PDE7A (0.33) | CHRM1 | |
| SCHEMBL14965916 | 0.77 | ABL1 (0.56) | MCHR1CHRM1KCNH2ALDH1A1NPC1 | |
| SCHEMBL14965755 | 0.77 | EPHX2 (0.50) | MCHR1CHRM1KCNH2EPHX2PTGS1 | |
| SCHEMBL14971162 | 0.77 | DRD2 (0.38) | CHRM1 | |
| SCHEMBL14966212 | 0.76 | HSD11B1 (0.44) | CHRM1KCNH2ALDH1A1 | |
| SCHEMBL14965621 | 0.75 | CHRM1 (0.44) | CHRM1KCNH2ALDH1A1PTGS1SLC6A2 |
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 3 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 |
| WO-2013072903-A1 | NITROIMIDAZOXADIAZOCINE COMPOUNDS | ITHEMBA PHARMACEUTICALS (PROPRIETARY) LIMITED (ZA) | 2013-05-23 | — | — | WO | disclosed |