Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 10/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.41 |
| ▸ | SCN2A | Q99250 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 4/20 | 0.39 |
| ▸ | MAPT | P10636 | 3/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.39 |
| ▸ | MEN1 | O00255 | 2/20 | 0.39 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.39 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.39 |
| ▸ | RELA | Q04206 | 1/20 | 0.39 |
| ▸ | CES2 | O00748 | 2/20 | 0.38 |
| ▸ | CES1 | P23141 | 2/20 | 0.38 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 3/20 | 0.37 |
| ▸ | GAA | P10253 | 2/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL11767314 | 0.83 | HPGD (0.41) | ALDH1A1SMN1; SMN2SCN2AMAPTKMT2A | |
| SCHEMBL11773358 | 0.82 | SMN1; SMN2 (0.40) | ALDH1A1SMN1; SMN2LMNAMAPTKMT2A | |
| SCHEMBL11768056 | 0.82 | CYP2C19 (0.46) | ALDH1A1LMNAMAPTNPSR1CES2 | |
| Fluoride SCHEMBL11728897 | 0.81 | HPGD (0.39) | ALDH1A1SMN1; SMN2SCN2AKMT2AMEN1 | |
| Fluoride SCHEMBL11251153 | 0.80 | CYP2C19 (0.44) | ALDH1A1LMNAMAPTNPSR1HPGD | |
| SCHEMBL11769694 | 0.79 | CA1 (0.47) | ALDH1A1SMN1; SMN2MAPTCES2CES1 | |
| SCHEMBL11023828 | 0.79 | ALDH1A1 (0.46) | ALDH1A1SMN1; SMN2LMNAMAPTKMT2A | |
| SCHEMBL11766752 | 0.77 | SCN2A (0.56) | ALDH1A1SMN1; SMN2SCN2ALMNAKMT2A | |
| SCHEMBL19619027 | 0.75 | SLC6A9 (0.44) | ALDH1A1SMN1; SMN2LMNAMAPTKMT2A | |
| SCHEMBL11766308 | 0.73 | SMN1; SMN2 (0.38) | SMN1; SMN2LMNAKMT2AMEN1HPGD |
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 |