Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 4/20 | 0.47 |
| ▸ | CA2 | P00918 | 4/20 | 0.47 |
| ▸ | CES2 | O00748 | 2/20 | 0.44 |
| ▸ | CES1 | P23141 | 2/20 | 0.44 |
| ▸ | ACHE | P22303 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.42 |
| ▸ | HTT | P42858 | 2/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.41 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.41 |
| ▸ | PARP1 | P09874 | 1/20 | 0.41 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.41 |
| ▸ | PARP2 | Q9UGN5 | 1/20 | 0.41 |
| ▸ | PARP4 | Q9UKK3 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | HPGD | P15428 | 2/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | CA12 | O43570 | 1/20 | 0.41 |
| ▸ | CA7 | P43166 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL11770964 | 0.79 | ALDH1A1 (0.41) | CES2CES1ALDH1A1SMN1; SMN2HTT | |
| SCHEMBL11767314 | 0.78 | HPGD (0.41) | ALDH1A1SMN1; SMN2MTNR1AMTNR1BMAPT | |
| SCHEMBL31319088 | 0.77 | MEN1 (0.44) | CA1CA2CES2CES1ACHE | |
| SCHEMBL11768056 | 0.77 | CYP2C19 (0.46) | CA1CA2CES2CES1ALDH1A1 | |
| SCHEMBL11773358 | 0.77 | SMN1; SMN2 (0.40) | CA1CA2CES2CES1ALDH1A1 | |
| Fluoride SCHEMBL11728897 | 0.76 | HPGD (0.39) | ALDH1A1SMN1; SMN2MTNR1AMTNR1BHPGD | |
| SCHEMBL21376784 | 0.74 | CA1 (0.61) | CA1CA2CES2CES1ALDH1A1 | |
| SCHEMBL21968031 | 0.72 | ALDH1A1 (0.44) | ALDH1A1MAPTHPGDGAATDP1 | |
| SCHEMBL11338721 | 0.72 | ALDH1A1 (0.49) | CA1CA2CES2CES1ALDH1A1 | |
| SCHEMBL11191542 | 0.71 | SMN1; SMN2 (0.49) | ACHEALDH1A1SMN1; SMN2HTTMAPK1 |
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-3997549-A | INSECTICIDE | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 1976-12-14 | — | — | US | disclosed |