Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 2/20 | 0.40 |
| ▸ | CA1 | P00915 | 2/20 | 0.40 |
| ▸ | CA9 | Q16790 | 2/20 | 0.40 |
| ▸ | MMP1 | P03956 | 1/20 | 0.38 |
| ▸ | MMP2 | P08253 | 1/20 | 0.38 |
| ▸ | MMP3 | P08254 | 1/20 | 0.38 |
| ▸ | MMP8 | P22894 | 1/20 | 0.38 |
| ▸ | ATM | Q13315 | 1/20 | 0.35 |
| ▸ | CES1 | P23141 | 3/20 | 0.34 |
| ▸ | ADH1C | P00326 | 1/20 | 0.34 |
| ▸ | ADH1A | P07327 | 1/20 | 0.34 |
| ▸ | ADH4 | P08319 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.33 |
| ▸ | CES2 | O00748 | 2/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.32 |
| ▸ | EPHX1 | P07099 | 3/20 | 0.32 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.32 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.31 |
| ▸ | ALDH2 | P05091 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL10925543 | 0.91 | ADH1C (0.44) | CES1ADH1CADH1AADH4ALDH1A1 | |
| SCHEMBL8190526 | 0.91 | ADH1C (0.44) | CES1ADH1CADH1AADH4ALDH1A1 | |
| SCHEMBL8120306 | 0.91 | ADH1C (0.44) | CES1ADH1CADH1AADH4ALDH1A1 | |
| SCHEMBL16142222 | 0.91 | ADH1C (0.44) | CES1ADH1CADH1AADH4ALDH1A1 | |
| SCHEMBL20526163 | 0.86 | — | — | |
| SCHEMBL11688049 | 0.80 | ALDH1A1 (0.39) | CA12CA1CA9MMP1MMP2 | |
| SCHEMBL14508779 | 0.80 | CA12 (0.39) | CA12CA1CA9MMP1MMP2 | |
| Hydrochloric Acid SCHEMBL11688058 | 0.80 | CA12 (0.39) | CA12CA1CA9MMP1MMP2 | |
| SCHEMBL7879076 | 0.80 | CA1 (0.39) | CA12CA1CA9MMP1MMP2 | |
| SCHEMBL927505 | 0.80 | CA12 (0.39) | CA12CA1CA9MMP1MMP2 |
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-2014143799-A2 | SUBSTITUTED XANTHINES AND METHODS OF USE THEREOF | HYDRA BIOSCIENCES, INC. (US) | 2014-09-18 | — | — | WO | disclosed |