Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.51 |
| ▸ | ATM | Q13315 | 2/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.45 |
| ▸ | POLB | P06746 | 2/20 | 0.45 |
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.45 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL14965644 | 0.86 | CA1 (0.46) | ATMALDH1A1KMT2APOLBLMNA | |
| SCHEMBL14966125 | 0.82 | ALDH1A1 (0.58) | ATMALDH1A1KDM4EPOLBSMN1; SMN2 | |
| SCHEMBL14966113 | 0.81 | POLB (0.39) | NPC1ALDH1A1KMT2APOLBMEN1 | |
| SCHEMBL14969489 | 0.81 | ALDH1A1 (0.43) | ATMALDH1A1KDM4ETDP1POLB | |
| SCHEMBL14966065 | 0.80 | LMNA (0.54) | ALDH1A1KDM4EKMT2APOLBMEN1 | |
| SCHEMBL14965582 | 0.79 | HSD17B10 (0.38) | ALDH1A1TDP1KMT2APOLBMEN1 | |
| SCHEMBL14965756 | 0.79 | PKM (0.40) | ALDH1A1KDM4EPOLBSMN1; SMN2LMNA | |
| SCHEMBL14965557 | 0.78 | DRD4 (0.48) | ATMALDH1A1KMT2AMEN1 | |
| SCHEMBL14966114 | 0.78 | KCNH2 (0.38) | ALDH1A1KDM4ETDP1POLBSMN1; SMN2 | |
| SCHEMBL14965889 | 0.77 | ALDH1A1 (0.44) | ALDH1A1KDM4ETDP1KMT2APOLB |
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 |