Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EPHX1 | P07099 | 3/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.53 |
| ▸ | HTT | P42858 | 1/20 | 0.53 |
| ▸ | GAA | P10253 | 1/20 | 0.49 |
| ▸ | KCNH3 | Q9ULD8 | 1/20 | 0.49 |
| ▸ | NAAA | Q02083 | 3/20 | 0.47 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.47 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.45 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.45 |
| ▸ | CTSD | P07339 | 1/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
| ▸ | HDAC3 | O15379 | 3/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL28386850 | 1.00 | EPHX1 (0.53) | EPHX1ALDH1A1HTTGAAKCNH3 | |
| SCHEMBL12955826 | 1.00 | EPHX1 (0.53) | EPHX1ALDH1A1HTTGAAKCNH3 | |
| SCHEMBL6461214 | 0.98 | EPHX1 (0.50) | EPHX1ALDH1A1HTTGAAKCNH3 | |
| SCHEMBL9766673 | 0.92 | GAA (0.47) | EPHX1ALDH1A1HTTGAAKCNH3 | |
| SCHEMBL11507917 | 0.89 | ALDH1A1 (0.52) | EPHX1ALDH1A1HTTKCNH3SIGMAR1 | |
| Octane SCHEMBL28820102 | 0.86 | GAA (0.50) | EPHX1ALDH1A1HTTGAAKCNH3 | |
| SCHEMBL3451557 | 0.83 | ALDH1A1 (0.50) | ALDH1A1HTTGAASIGMAR1HDAC8 | |
| SCHEMBL11761017 | 0.81 | HDAC8 (0.53) | ALDH1A1HTTSIGMAR1HDAC11HDAC8 | |
| SCHEMBL28136106 | 0.81 | KCNH3 (0.50) | ALDH1A1HTTGAAKCNH3TDP1 | |
| Hydrochloric Acid SCHEMBL28122347 | 0.79 | KCNH3 (0.53) | ALDH1A1HTTGAAKCNH3TDP1 |
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 |
|---|---|---|---|---|---|---|---|
| US-5110941-A | Methods of producing 1H-pyraolo(5,1-c)-1,2,4-triazoles and pyrazole derivatives | FUJI PHOTO FILM CO., LTD. (JP) | 1992-05-05 | — | — | US | disclosed |