Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.44 |
| ▸ | TSHR | P16473 | 2/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.40 |
| ▸ | MEN1 | O00255 | 2/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | USP2 | O75604 | 1/20 | 0.36 |
| ▸ | PKM | P14618 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | KCNH2 | Q12809 | 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 | |
|---|---|---|---|---|
| SCHEMBL14966113 | 0.87 | POLB (0.39) | ALDH1A1SMN1; SMN2POLBKMT2AMEN1 | |
| SCHEMBL14966018 | 0.85 | POLB (0.49) | ALDH1A1TSHRKDM4ESMN1; SMN2POLB | |
| SCHEMBL14965373 | 0.83 | CA1 (0.48) | ALDH1A1TSHRSMN1; SMN2POLBKMT2A | |
| SCHEMBL14965832 | 0.82 | NPC1 (0.36) | ALDH1A1TSHRSMN1; SMN2POLBKMT2A | |
| SCHEMBL14969489 | 0.82 | ALDH1A1 (0.43) | ALDH1A1TDP1KDM4ESMN1; SMN2POLB | |
| SCHEMBL14965582 | 0.80 | HSD17B10 (0.38) | ALDH1A1TDP1POLBKMT2AMEN1 | |
| SCHEMBL14965756 | 0.80 | PKM (0.40) | ALDH1A1KDM4ESMN1; SMN2POLBPKM | |
| SCHEMBL14966161 | 0.80 | NPC1 (0.42) | ALDH1A1TSHRKDM4ESMN1; SMN2POLB | |
| SCHEMBL14965953 | 0.79 | L3MBTL1 (0.44) | ALDH1A1TSHRKDM4ESMN1; SMN2POLB | |
| SCHEMBL14965565 | 0.79 | KMT2A (0.43) | ALDH1A1TDP1KDM4EKMT2AMEN1 |
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 |