Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GAA | P10253 | 1/20 | 0.66 |
| ▸ | SRD5A2 | P31213 | 3/20 | 0.54 |
| ▸ | MAOB | P27338 | 3/20 | 0.52 |
| ▸ | CYP1A1 | P04798 | 2/20 | 0.51 |
| ▸ | CYP1B1 | Q16678 | 2/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.49 |
| ▸ | CTDSP1 | Q9GZU7 | 1/20 | 0.48 |
| ▸ | GRM4 | Q14833 | 1/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.47 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.47 |
| ▸ | CES2 | O00748 | 1/20 | 0.47 |
| ▸ | CES1 | P23141 | 1/20 | 0.47 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.47 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL584253 | 0.88 | CYP3A4 (0.58) | MAOBALDH1A1CYP3A4SMN1; SMN2NR1I2 | |
| SCHEMBL1816349 | 0.86 | GAA (0.85) | GAASRD5A2ALDH1A1NR1I2KMT2A | |
| SCHEMBL12676015 | 0.84 | CYP3A4 (0.54) | MAOBALDH1A1CYP3A4SMN1; SMN2NR1I2 | |
| SCHEMBL10738323 | 0.84 | SRD5A2 (0.51) | GAASRD5A2MAOBCYP1A1CYP1B1 | |
| SCHEMBL7747383 | 0.83 | LTA4H (0.58) | MAOBALDH1A1CYP3A4SMN1; SMN2NR1I2 | |
| SCHEMBL1811815 | 0.81 | GAA (0.72) | GAAMAOBALDH1A1SMN1; SMN2NR1I2 | |
| SCHEMBL25954201 | 0.81 | GAA (0.77) | GAASRD5A2ALDH1A1NR1I2KMT2A | |
| SCHEMBL15499148 | 0.81 | KDM4E (0.50) | GAASRD5A2MAOBCYP1A1CYP1B1 | |
| SCHEMBL12669344 | 0.80 | APP (0.51) | MAOBALDH1A1CYP3A4SMN1; SMN2 | |
| SCHEMBL3469196 | 0.80 | GAA (0.74) | GAASRD5A2ALDH1A1NR1I2MEN1 |
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-2001036372-A1 | ORGANIC COMPOUNDS AND THEIR USE IN THE CONTROL OF ECTOPARASITES | NOVARTIS AG (CH) | 2001-05-25 | — | — | WO | disclosed |