Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.55 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.54 |
| ▸ | MEN1 | O00255 | 2/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.53 |
| ▸ | GAA | P10253 | 1/20 | 0.50 |
| ▸ | TSHR | P16473 | 1/20 | 0.48 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.47 |
| ▸ | HTR2C | P28335 | 1/20 | 0.44 |
| ▸ | CA12 | O43570 | 1/20 | 0.44 |
| ▸ | CA1 | P00915 | 1/20 | 0.44 |
| ▸ | CA2 | P00918 | 1/20 | 0.44 |
| ▸ | CA9 | Q16790 | 1/20 | 0.44 |
| ▸ | CTSL | P07711 | 1/20 | 0.44 |
| ▸ | CTSB | P07858 | 1/20 | 0.44 |
| ▸ | CTSK | P43235 | 1/20 | 0.44 |
| ▸ | SGMS2 | Q8NHU3 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL22710505 | 0.96 | ALDH1A1 (0.53) | ALDH1A1EPHX1MEN1KMT2AGAA | |
| Hydrochloric Acid SCHEMBL27900667 | 0.95 | ALDH1A1 (0.52) | ALDH1A1EPHX1MEN1KMT2AGAA | |
| SCHEMBL28833761 | 0.91 | EPHX1 (0.63) | ALDH1A1EPHX1MEN1KMT2AGAA | |
| SCHEMBL3487348 | 0.91 | EPHX1 (0.63) | ALDH1A1EPHX1MEN1KMT2AGAA | |
| SCHEMBL21843301 | 0.87 | ALDH1A1 (0.64) | ALDH1A1EPHX1MEN1KMT2AGAA | |
| SCHEMBL3295234 | 0.87 | EPHX1 (0.61) | ALDH1A1EPHX1MEN1KMT2AGAA | |
| SCHEMBL963963 | 0.87 | EPHX1 (0.61) | ALDH1A1EPHX1MEN1KMT2AGAA | |
| SCHEMBL3316063 | 0.87 | EPHX1 (0.61) | ALDH1A1EPHX1MEN1KMT2AGAA | |
| SCHEMBL27955816 | 0.87 | ALDH1A1 (0.52) | ALDH1A1EPHX1MEN1KMT2AGAA | |
| SCHEMBL2170012 | 0.86 | ALDH1A1 (0.67) | ALDH1A1EPHX1MEN1KMT2AGAA |
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-110194770-A | Peptide acyl arginine deiminase inhibitor and application thereof | 南京药捷安康生物科技有限公司 | 2019-09-03 | — | — | CN | disclosed |