Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 9/20 | 0.53 |
| ▸ | KDM4E | B2RXH2 | 8/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.45 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.44 |
| ▸ | POLB | P06746 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | HRH1 | P35367 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | GFER | P55789 | 1/20 | 0.38 |
| ▸ | PKM | P14618 | 1/20 | 0.38 |
| ▸ | TRPV6 | Q9H1D0 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL14965773 | 0.84 | L3MBTL1 (0.46) | ALDH1A1KDM4EKMT2ACYP1A2CYP2C19 | |
| SCHEMBL14965974 | 0.84 | FAAH (0.41) | ALDH1A1KDM4EKMT2ANPSR1POLB | |
| SCHEMBL14965663 | 0.83 | KCNH2 (0.35) | ALDH1A1KDM4EKMT2ACYP1A2CYP2C19 | |
| SCHEMBL14965799 | 0.82 | RAB9A (0.46) | ALDH1A1KDM4EKMT2AMEN1TSHR | |
| SCHEMBL14971108 | 0.81 | ALDH1A1 (0.44) | ALDH1A1KDM4EL3MBTL1MAPTTSHR | |
| SCHEMBL14965623 | 0.81 | CYP2A13 (0.48) | ALDH1A1KDM4EKMT2APOLBMEN1 | |
| SCHEMBL14965590 | 0.80 | CHRNB2 (0.45) | ALDH1A1KDM4EPOLBTRPV6 | |
| SCHEMBL14965410 | 0.79 | DRD2 (0.38) | ALDH1A1KDM4EKMT2APOLBMEN1 | |
| SCHEMBL14965682 | 0.79 | HTR7 (0.44) | ALDH1A1KDM4EKMT2APOLBMEN1 | |
| SCHEMBL14971091 | 0.78 | DRD2 (0.44) | ALDH1A1KDM4EKMT2APOLBMEN1 |
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 |