Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 2/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | HTT | P42858 | 2/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | PYCR1 | P32322 | 1/20 | 0.35 |
| ▸ | IDO1 | P14902 | 2/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.34 |
| ▸ | LSS | P48449 | 1/20 | 0.34 |
| ▸ | RORC | P51449 | 1/20 | 0.33 |
| ▸ | TMEM97 | Q5BJF2 | 1/20 | 0.33 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL14965826 | 0.86 | MEN1 (0.60) | MEN1KMT2AHTTSMN1; SMN2KDM4E | |
| SCHEMBL14966345 | 0.85 | SLC6A4 (0.36) | MEN1KMT2AHTTSMN1; SMN2KDM4E | |
| SCHEMBL14966184 | 0.85 | CYP1A2 (0.39) | HTTSMN1; SMN2KDM4EALDH1A1MAPT | |
| SCHEMBL14965801 | 0.84 | TSHR (0.44) | MEN1KMT2AHTTSMN1; SMN2KDM4E | |
| SCHEMBL14965642 | 0.83 | HTT (0.37) | MEN1KMT2AHTTSMN1; SMN2KDM4E | |
| SCHEMBL14966003 | 0.78 | CETP (0.50) | MEN1KMT2AHTTSMN1; SMN2KDM4E | |
| SCHEMBL14965745 | 0.77 | CHRNB2 (0.42) | HTTSMN1; SMN2KDM4EALDH1A1MAPT | |
| SCHEMBL1671907 | 0.76 | — | — | |
| SCHEMBL27383371 | 0.76 | — | — | |
| SCHEMBL14965583 | 0.76 | TSHR (0.42) | MEN1KMT2AHTTSMN1; SMN2KDM4E |
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 |