Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTT | P42858 | 3/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.51 |
| ▸ | GAA | P10253 | 2/20 | 0.51 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.51 |
| ▸ | MAPT | P10636 | 1/20 | 0.51 |
| ▸ | THRB | P10828 | 1/20 | 0.51 |
| ▸ | HPGD | P15428 | 1/20 | 0.51 |
| ▸ | GFER | P55789 | 1/20 | 0.51 |
| ▸ | PLEC | Q15149 | 1/20 | 0.51 |
| ▸ | CA12 | O43570 | 2/20 | 0.49 |
| ▸ | CA1 | P00915 | 2/20 | 0.49 |
| ▸ | CA2 | P00918 | 2/20 | 0.49 |
| ▸ | CA4 | P22748 | 2/20 | 0.49 |
| ▸ | CA6 | P23280 | 2/20 | 0.49 |
| ▸ | CA7 | P43166 | 2/20 | 0.49 |
| ▸ | CA9 | Q16790 | 2/20 | 0.49 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.49 |
| ▸ | CA3 | P07451 | 1/20 | 0.49 |
| ▸ | PKM | P14618 | 1/20 | 0.49 |
| ▸ | CA5A | P35218 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL18940654 | 1.00 | HTT (0.51) | HTTALDH1A1GAAKDM4EMAPT | |
| SCHEMBL18969570 | 0.88 | KDM4E (0.45) | HTTALDH1A1GAAKDM4EMAPT | |
| SCHEMBL29850871 | 0.88 | KDM4E (0.45) | HTTALDH1A1GAAKDM4EMAPT | |
| SCHEMBL28306097 | 0.83 | CA12 (0.53) | HTTALDH1A1KDM4ECA12CA1 | |
| SCHEMBL20886126 | 0.82 | PDE4A (0.47) | HTTALDH1A1GAAKDM4EMAPT | |
| SCHEMBL18976653 | 0.81 | CA12 (0.47) | HTTALDH1A1GAAKDM4EMAPT | |
| SCHEMBL19437435 | 0.77 | ALDH1A1 (0.46) | HTTALDH1A1GAATSHRLMNA | |
| SCHEMBL20886127 | 0.76 | ALDH1A1 (0.44) | ALDH1A1GAAKDM4EMAPT | |
| SCHEMBL10687263 | 0.76 | MAPT (0.51) | ALDH1A1GAAKDM4EMAPTGFER | |
| SCHEMBL21723148 | 0.75 | CA12 (0.51) | HTTALDH1A1GAAKDM4EMAPT |
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 |
|---|---|---|---|---|---|---|---|
| CN-109069869-B | Bicyclic PAD4 inhibitors | 帕德罗科治疗公司 | 2022-09-13 | — | — | CN | disclosed |