Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 2/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | CTNNB1 | P35222 | 1/20 | 0.36 |
| ▸ | WNT3A | P56704 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.35 |
| ▸ | TBXA2R | P21731 | 2/20 | 0.33 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.33 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.31 |
| ▸ | HPGD | P15428 | 1/20 | 0.31 |
| ▸ | RECQL | P46063 | 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 | |
|---|---|---|---|---|
| Trifluoroacetic Acid SCHEMBL21963672 | 0.89 | CYP2D6 (0.31) | ALDH1A1TSHRHSD17B10CYP2D6CTNNB1 | |
| Hydrochloric Acid SCHEMBL21963932 | 0.86 | ALDH1A1 (0.34) | ALDH1A1TSHRCTNNB1WNT3ASMN1; SMN2 | |
| SCHEMBL22015232 | 0.86 | ALDH1A1 (0.34) | ALDH1A1TSHRCTNNB1WNT3ASMN1; SMN2 | |
| SCHEMBL22015234 | 0.84 | ALDH1A1 (0.39) | ALDH1A1HSD17B10SMN1; SMN2HDAC1KDM4E | |
| SCHEMBL22014911 | 0.79 | FDPS (0.33) | ALDH1A1HDAC1 | |
| SCHEMBL22015056 | 0.79 | LTA4H (0.37) | TSHRHSD17B10CYP2D6 | |
| SCHEMBL21963931 | 0.78 | HDAC1 (0.33) | HDAC1 | |
| Bromide SCHEMBL21963675 | 0.78 | FDPS (0.32) | HDAC1 | |
| SCHEMBL21963669 | 0.77 | PABPC1 (0.31) | — | |
| SCHEMBL21963674 | 0.76 | — | — |
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-2020099407-A1 | HERBICIDAL COMPOUNDS | SYNGENTA CROP PROTECTION AG (CH) | 2020-05-22 | — | — | WO | disclosed |