Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MPO | P05164 | 1/20 | 0.48 |
| ▸ | IDO1 | P14902 | 7/20 | 0.40 |
| ▸ | BACE1 | P56817 | 1/20 | 0.39 |
| ▸ | SLC11A2 | P49281 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.35 |
| ▸ | MEN1 | O00255 | 2/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.35 |
| ▸ | TP53 | P04637 | 2/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 2/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.33 |
| ▸ | NOS1 | P29475 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL30087536 | 0.99 | MPO (0.47) | MPOIDO1BACE1SLC11A2SMN1; SMN2 | |
| Bromide SCHEMBL1082487 | 0.83 | BACE1 (0.40) | MPOIDO1BACE1SLC11A2SMN1; SMN2 | |
| Bromide SCHEMBL5382542 | 0.79 | IDO1 (0.35) | MPOIDO1BACE1SLC11A2SMN1; SMN2 | |
| SCHEMBL23782624 | 0.79 | IDO1 (0.35) | MPOIDO1BACE1SLC11A2SMN1; SMN2 | |
| Bromide SCHEMBL2885802 | 0.78 | IDO1 (0.34) | MPOIDO1BACE1SLC11A2SMN1; SMN2 | |
| Hydrochloric Acid SCHEMBL5388643 | 0.78 | IDO1 (0.36) | MPOIDO1BACE1SLC11A2SMN1; SMN2 | |
| SCHEMBL28755298 | 0.77 | IDO1 (0.33) | MPOIDO1BACE1SLC11A2SMN1; SMN2 | |
| Bromide SCHEMBL5374112 | 0.76 | IDO1 (0.33) | MPOIDO1BACE1SLC11A2SMN1; SMN2 | |
| SCHEMBL939159 | 0.74 | MPO (0.41) | MPOSMN1; SMN2MEN1KMT2ACYP3A4 | |
| SCHEMBL12567090 | 0.72 | MPO (0.42) | MPOSMN1; SMN2MEN1KMT2ACYP3A4 |
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-2023194957-A1 | A PROCESS FOR PREPARATION OF 3-[5-(DIFLUOROMETHOXY)-1- METHYL-3-(TRIFLUOROMETHYL)PYRAZOL-4- YLMETHYLSULFONYL]-4,5-DIHYDRO-5,5-DIMETHYL-1,2-OXAZOLE AND ITS INTERMEDIATES | UPL LIMITED (IN) | 2023-10-12 | — | — | WO | disclosed |