Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 4/20 | 0.43 |
| ▸ | CA2 | P00918 | 4/20 | 0.43 |
| ▸ | ACHE | P22303 | 2/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | TLR4 | O00206 | 1/20 | 0.39 |
| ▸ | CA12 | O43570 | 2/20 | 0.39 |
| ▸ | CA9 | Q16790 | 2/20 | 0.39 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.38 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.38 |
| ▸ | CPB1 | P15086 | 1/20 | 0.38 |
| ▸ | CTSL | P07711 | 1/20 | 0.38 |
| ▸ | CTSB | P07858 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL19643187 | 0.92 | CA1 (0.53) | CA1CA2ACHETSHRALDH1A1 | |
| SCHEMBL19642834 | 0.92 | CA1 (0.53) | CA1CA2ACHETSHRALDH1A1 | |
| SCHEMBL19642779 | 0.92 | CA1 (0.53) | CA1CA2ACHETSHRALDH1A1 | |
| SCHEMBL28870334 | 0.79 | CA1 (0.47) | CA1CA2ACHETSHRALDH1A1 | |
| SCHEMBL22227927 | 0.72 | ALDH1A1 (0.55) | CA1CA2ACHETSHRALDH1A1 | |
| SCHEMBL21843301 | 0.71 | ALDH1A1 (0.64) | CA1CA2TSHRALDH1A1GAA | |
| SCHEMBL22492335 | 0.70 | DHFR (0.54) | ALDH1A1GAAMEN1KMT2ACYP2C19 | |
| SCHEMBL2170012 | 0.70 | ALDH1A1 (0.67) | CA1CA2TSHRALDH1A1GAA | |
| SCHEMBL2169031 | 0.70 | ALDH1A1 (0.67) | CA1CA2TSHRALDH1A1GAA | |
| SCHEMBL27787789 | 0.70 | ALDH1A1 (0.54) | CA1CA2TSHRALDH1A1GAA |
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-109475530-A | For treating the aminoacyl indazole immunomodulator of autoimmune disease | 洛克菲勒大学 | 2019-03-15 | — | — | CN | disclosed |