Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 2/20 | 0.45 |
| ▸ | RAB9A | P51151 | 2/20 | 0.45 |
| ▸ | TP53 | P04637 | 3/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | GAA | P10253 | 4/20 | 0.42 |
| ▸ | MAPT | P10636 | 4/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.40 |
| ▸ | FAAH | O00519 | 2/20 | 0.40 |
| ▸ | POLB | P06746 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.39 |
| ▸ | BLM | P54132 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | ABL1 | P00519 | 1/20 | 0.39 |
| ▸ | RIN1 | Q13671 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL14966280 | 0.90 | SMN1; SMN2 (0.52) | NPC1RAB9AALDH1A1GAAMAPT | |
| SCHEMBL14965955 | 0.90 | MAPK1 (0.44) | KDM4EALDH1A1GAAMAPTSMN1; SMN2 | |
| SCHEMBL14965945 | 0.89 | BLM (0.55) | ALDH1A1MAPTTSHRKMT2AHTT | |
| SCHEMBL14965906 | 0.87 | PANK3 (0.42) | GAAMAPTHTTSMN1; SMN2FAAH | |
| SCHEMBL14965486 | 0.85 | LMNA (0.42) | TP53KDM4EALDH1A1GAAMAPT | |
| SCHEMBL14966116 | 0.78 | MAPT (0.46) | NPC1RAB9AKDM4EALDH1A1MAPT | |
| SCHEMBL14965869 | 0.77 | ALDH1A1 (0.41) | NPC1ALDH1A1GAAMAPTKMT2A | |
| SCHEMBL14966075 | 0.77 | KDM4E (0.46) | TP53KDM4EALDH1A1KMT2AHTT | |
| SCHEMBL14965880 | 0.76 | P2RY12 (0.38) | KDM4EALDH1A1KMT2APOLBLMNA | |
| SCHEMBL14965783 | 0.76 | NPC1 (0.51) | NPC1KDM4EALDH1A1KMT2ASMN1; SMN2 |
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 |