Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.61 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.50 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.47 |
| ▸ | EPAS1 | Q99814 | 1/20 | 0.47 |
| ▸ | KLKB1 | P03952 | 1/20 | 0.46 |
| ▸ | KLK1 | P06870 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 2/20 | 0.43 |
| ▸ | GALR3 | O60755 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.43 |
| ▸ | PKM | P14618 | 1/20 | 0.42 |
| ▸ | MLLT1 | Q03111 | 1/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL14966045 | 0.91 | TSHR (0.50) | TSHRKLKB1KLK1ALDH1A1KMT2A | |
| SCHEMBL14965800 | 0.90 | ALDH1A1 (0.58) | TSHRHIF1AEPAS1KLKB1KLK1 | |
| SCHEMBL14965754 | 0.90 | TSHR (0.47) | TSHRKDM4EALDH1A1KMT2AMAPT | |
| SCHEMBL14965737 | 0.90 | CHRM1 (0.49) | TSHRALDH1A1MLLT1EPHX2NR1H4 | |
| SCHEMBL14966186 | 0.89 | ALDH1A1 (0.48) | TSHRHIF1AEPAS1ALDH1A1KMT2A | |
| SCHEMBL14965703 | 0.89 | SMN1; SMN2 (0.49) | TSHRHIF1AEPAS1ALDH1A1MAPT | |
| SCHEMBL14965538 | 0.88 | HDAC4 (0.49) | TSHRHIF1AEPAS1ALDH1A1CHRM3 | |
| SCHEMBL14965370 | 0.87 | ALDH1A1 (0.44) | TSHRKDM4EALDH1A1KMT2AMAPT | |
| SCHEMBL14965856 | 0.87 | PRKAA2 (0.46) | TSHRALDH1A1CHRM3MLLT1EPHX2 | |
| SCHEMBL14965373 | 0.86 | CA1 (0.48) | TSHRALDH1A1KMT2AMAPTMEN1 |
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 |