Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 4/20 | 0.49 |
| ▸ | HTT | P42858 | 1/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.47 |
| ▸ | MEN1 | O00255 | 1/20 | 0.47 |
| ▸ | USP2 | O75604 | 1/20 | 0.47 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
| ▸ | THRB | P10828 | 1/20 | 0.46 |
| ▸ | HTR1A | P08908 | 3/20 | 0.45 |
| ▸ | HTR7 | P34969 | 3/20 | 0.45 |
| ▸ | MMP2 | P08253 | 1/20 | 0.45 |
| ▸ | MMP9 | P14780 | 1/20 | 0.45 |
| ▸ | HRH2 | P25021 | 1/20 | 0.45 |
| ▸ | HRH1 | P35367 | 1/20 | 0.45 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.44 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.44 |
| ▸ | PDK3 | Q15120 | 1/20 | 0.44 |
| ▸ | PDK4 | Q16654 | 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 | |
|---|---|---|---|---|
| SCHEMBL1820034 | 1.00 | KMT2A (0.49) | KMT2AHTTALDH1A1MEN1USP2 | |
| SCHEMBL1817745 | 0.87 | HTT (0.44) | KMT2AHTTALDH1A1MEN1USP2 | |
| SCHEMBL1817743 | 0.87 | HTT (0.44) | KMT2AHTTALDH1A1MEN1USP2 | |
| SCHEMBL1810551 | 0.79 | MLNR (0.40) | KMT2AMMP2MMP9 | |
| SCHEMBL1810550 | 0.78 | KMT2A (0.41) | KMT2AHTTALDH1A1MEN1USP2 | |
| SCHEMBL12653729 | 0.77 | HTR7 (0.53) | KMT2AHTTALDH1A1SMN1; SMN2THRB | |
| SCHEMBL1813383 | 0.77 | HTT (0.38) | KMT2AHTTALDH1A1MEN1USP2 | |
| SCHEMBL12654545 | 0.75 | HTT (0.41) | HTTALDH1A1MMP2MMP9 | |
| SCHEMBL12654084 | 0.74 | MLNR (0.54) | — | |
| SCHEMBL12654369 | 0.74 | HTR1A (0.56) | KMT2AHTTSIGMAR1HTR1AHTR7 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2011061590-A1 | NOVEL CARBOXAMIDE DERIVATIVES AS HIV INHIBITORS | HETERO RESEARCH FOUNDATION (IN) | 2011-05-26 | — | — | WO | disclosed |