Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.38 |
| ▸ | CCR2 | P41597 | 3/20 | 0.34 |
| ▸ | NOX1 | Q9Y5S8 | 1/20 | 0.33 |
| ▸ | NOTUM | Q6P988 | 2/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.32 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.32 |
| ▸ | F7 | P08709 | 1/20 | 0.32 |
| ▸ | F3 | P13726 | 1/20 | 0.32 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | PLA2G1B | P04054 | 1/20 | 0.32 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL31396637 | 0.79 | CCR2 (0.44) | CYP3A4CCR2NOX1ALDH1A1CYP2A6 | |
| SCHEMBL8489299 | 0.79 | CCR2 (0.44) | CYP3A4CCR2NOX1ALDH1A1CYP2A6 | |
| SCHEMBL9476344 | 0.76 | CYP3A4 (0.48) | CYP3A4NOX1NOTUMALDH1A1CYP2A6 | |
| SCHEMBL19563725 | 0.72 | TSHR (0.39) | CYP3A4ALDH1A1CYP2A6 | |
| SCHEMBL11163826 | 0.72 | CYP3A4 (0.46) | CYP3A4NOX1NOTUMMAPK1ALDH1A1 | |
| SCHEMBL21900269 | 0.72 | TSHR (0.39) | CYP3A4ALDH1A1CYP2A6 | |
| SCHEMBL16676455 | 0.71 | CYP3A4 (0.40) | CYP3A4CCR2NOX1MAPK1ALDH1A1 | |
| SCHEMBL11537655 | 0.68 | CYP3A4 (0.38) | CYP3A4NOX1NOTUMALDH1A1CYP2A6 | |
| SCHEMBL14446524 | 0.68 | IDO1 (0.59) | CYP3A4ALDH1A1MEN1PLA2G1BHSP90AA1 | |
| SCHEMBL21608947 | 0.67 | CYP3A4 (0.40) | CYP3A4NOX1MAPK1ALDH1A1CYP2A6 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2922845-B1 | ANTHELMINTIC COMPOUNDS AND COMPOSITIONS AND METHOD OF USING THEREOF | MERIAL INC (US) | 2018-06-20 | — | — | EP | disclosed |