Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | P2RY12 | Q9H244 | 4/20 | 0.38 |
| ▸ | FBP1 | P09467 | 1/20 | 0.36 |
| ▸ | STS | P08842 | 2/20 | 0.36 |
| ▸ | LMNA | P02545 | 2/20 | 0.36 |
| ▸ | EGFR | P00533 | 1/20 | 0.36 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.35 |
| ▸ | RECQL | P46063 | 1/20 | 0.35 |
| ▸ | ENPP1 | P22413 | 2/20 | 0.35 |
| ▸ | KCNA1 | Q09470 | 1/20 | 0.35 |
| ▸ | KCNAB1 | Q14722 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CASP1 | P29466 | 1/20 | 0.34 |
| ▸ | CASP7 | P55210 | 1/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL14966229 | 0.91 | KDM4E (0.41) | P2RY12STSLMNAEGFRERBB2 | |
| SCHEMBL14965486 | 0.91 | LMNA (0.42) | P2RY12STSLMNAEGFRERBB2 | |
| SCHEMBL14966075 | 0.81 | KDM4E (0.46) | LMNARECQLKDM4EALDH1A1PKM | |
| SCHEMBL14965648 | 0.78 | PKM (0.45) | LMNAALDH1A1HSD17B10PKMKMT2A | |
| SCHEMBL14966280 | 0.76 | SMN1; SMN2 (0.52) | LMNAALDH1A1KMT2APOLB | |
| SCHEMBL14965726 | 0.76 | NPC1 (0.45) | LMNAKDM4EALDH1A1TDP1KMT2A | |
| SCHEMBL14965955 | 0.76 | MAPK1 (0.44) | LMNAKDM4EALDH1A1 | |
| SCHEMBL14966119 | 0.75 | KMT2A (0.52) | LMNARECQLKDM4EALDH1A1TDP1 | |
| SCHEMBL14966218 | 0.75 | KMT2A (0.52) | LMNACYP3A4CYP2C9ALDH1A1KMT2A | |
| SCHEMBL14965598 | 0.74 | NAAA (0.49) | LMNAKDM4EALDH1A1KMT2APOLB |
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 |