Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 4/20 | 0.53 |
| ▸ | MEN1 | O00255 | 2/20 | 0.53 |
| ▸ | HPGD | P15428 | 2/20 | 0.53 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.53 |
| ▸ | HTT | P42858 | 3/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | GPR35 | Q9HC97 | 4/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 4/20 | 0.44 |
| ▸ | MAPT | P10636 | 4/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | TTR | P02766 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.44 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.44 |
| ▸ | RECQL | P46063 | 1/20 | 0.44 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.44 |
| ▸ | HIF1A | Q16665 | 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 | |
|---|---|---|---|---|
| Nitramine SCHEMBL57161 | 0.98 | KMT2A (0.54) | KMT2AMEN1HPGDNPSR1HTT | |
| Nitramine SCHEMBL22069954 | 0.96 | KMT2A (0.53) | KMT2AMEN1HPGDNPSR1HTT | |
| Nitramine SCHEMBL27698408 | 0.96 | KMT2A (0.53) | KMT2AMEN1HPGDNPSR1HTT | |
| Nitramine SCHEMBL11697129 | 0.96 | KMT2A (0.53) | KMT2AMEN1HPGDNPSR1HTT | |
| Nitramine SCHEMBL28196454 | 0.96 | KMT2A (0.53) | KMT2AMEN1HPGDNPSR1HTT | |
| Nitramine SCHEMBL6131363 | 0.96 | KMT2A (0.53) | KMT2AMEN1HPGDNPSR1HTT | |
| Nitramine SCHEMBL9803294 | 0.93 | KMT2A (0.54) | KMT2AMEN1HPGDNPSR1HTT | |
| Nitramine SCHEMBL11333778 | 0.93 | KMT2A (0.54) | KMT2AMEN1HPGDNPSR1HTT | |
| Nitramine SCHEMBL28647826 | 0.91 | KMT2A (0.49) | KMT2AMEN1HPGDNPSR1HTT | |
| Nitramine SCHEMBL9097912 | 0.91 | KMT2A (0.49) | KMT2AMEN1HPGDNPSR1HTT |
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 |
|---|---|---|---|---|---|---|---|
| CN-108586649-A | Series poly ion liquid containing energy and preparation method thereof | 中国工程物理研究院化工材料研究所 | 2018-09-28 | — | — | CN | claimed |
| CN-108586649-A | Series poly ion liquid containing energy and preparation method thereof | 中国工程物理研究院化工材料研究所 | 2018-09-28 | — | — | CN | disclosed |