Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KLKB1 | P03952 | 3/20 | 0.48 |
| ▸ | KLK1 | P06870 | 3/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.42 |
| ▸ | TP53 | P04637 | 2/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | HTR2C | P28335 | 1/20 | 0.41 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.41 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.40 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.40 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL14965800 | 0.90 | ALDH1A1 (0.58) | KLKB1KLK1ALDH1A1MEN1KMT2A | |
| SCHEMBL14966210 | 0.89 | ALDH1A1 (0.43) | KLKB1KLK1ALDH1A1MEN1KMT2A | |
| SCHEMBL14966045 | 0.88 | TSHR (0.50) | KLKB1KLK1ALDH1A1MEN1KMT2A | |
| SCHEMBL14965591 | 0.88 | CHRM3 (0.47) | KLKB1KLK1ALDH1A1MEN1KMT2A | |
| SCHEMBL14965538 | 0.86 | HDAC4 (0.49) | ALDH1A1CHRM3SMN1; SMN2HDAC4HDAC6 | |
| SCHEMBL14966186 | 0.86 | ALDH1A1 (0.48) | ALDH1A1MEN1KMT2ASMN1; SMN2NPC1 | |
| SCHEMBL14965370 | 0.84 | ALDH1A1 (0.44) | ALDH1A1MEN1KMT2ASMN1; SMN2NPC1 | |
| SCHEMBL14965856 | 0.84 | PRKAA2 (0.46) | ALDH1A1CHRM3SMN1; SMN2HDAC4HDAC6 | |
| SCHEMBL14965611 | 0.84 | TSHR (0.61) | KLKB1KLK1ALDH1A1MEN1KMT2A | |
| SCHEMBL14965754 | 0.83 | TSHR (0.47) | ALDH1A1MEN1KMT2ASMN1; SMN2HDAC4 |
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 |