Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABL1 | P00519 | 7/20 | 0.55 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.54 |
| ▸ | NPC1 | O15118 | 3/20 | 0.52 |
| ▸ | RAB9A | P51151 | 3/20 | 0.52 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.52 |
| ▸ | MEN1 | O00255 | 2/20 | 0.52 |
| ▸ | TP53 | P04637 | 2/20 | 0.52 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.52 |
| ▸ | PKM | P14618 | 1/20 | 0.52 |
| ▸ | HPGD | P15428 | 1/20 | 0.52 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.52 |
| ▸ | TRPV1 | Q8NER1 | 2/20 | 0.51 |
| ▸ | BRAF | P15056 | 5/20 | 0.51 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.50 |
| ▸ | TSHR | P16473 | 1/20 | 0.50 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.50 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.50 |
| ▸ | RELA | Q04206 | 1/20 | 0.50 |
| ▸ | HTT | P42858 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL2105853 | 0.87 | NPC1 (0.67) | NPC1RAB9ASMN1; SMN2MEN1TP53 | |
| SCHEMBL6816413 | 0.84 | PTGS1 (0.65) | ABL1PTPN1NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL14965861 | 0.84 | TRPV1 (0.72) | ABL1NPC1RAB9ASMN1; SMN2MEN1 | |
| SCHEMBL17095050 | 0.83 | NPC1 (0.72) | NPC1RAB9ASMN1; SMN2MEN1TP53 | |
| SCHEMBL14965824 | 0.82 | PTPN1 (0.57) | ABL1PTPN1NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL7073723 | 0.80 | PTPN1 (0.55) | ABL1PTPN1NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL13329272 | 0.80 | HSP90AA1 (0.58) | ABL1PTPN1NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL27480739 | 0.79 | UNG (0.56) | PTPN1NPC1RAB9ASMN1; SMN2MEN1 | |
| SCHEMBL6748367 | 0.78 | KAT6A (0.55) | NPC1RAB9ABRAF | |
| SCHEMBL2107071 | 0.78 | NPC1 (0.58) | NPC1RAB9ASMN1; SMN2TP53ALDH1A1 |
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 | disclosed |
| WO-2013072903-A1 | NITROIMIDAZOXADIAZOCINE COMPOUNDS | ITHEMBA PHARMACEUTICALS (PROPRIETARY) LIMITED (ZA) | 2013-05-23 | — | — | WO | disclosed |