Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | PTPRZ1 | P23471 | 1/20 | 0.35 |
| ▸ | NAMPT | P43490 | 5/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | THRB | P10828 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 2/20 | 0.33 |
| ▸ | IGF1R | P08069 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | THPO | P40225 | 1/20 | 0.32 |
| ▸ | AR | P10275 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 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 | |
|---|---|---|---|---|
| SCHEMBL6174602 | 0.88 | CYP3A4 (0.37) | CYP3A4CYP2C9CYP2C19GAAPTPRZ1 | |
| SCHEMBL6172549 | 0.80 | IGF1R (0.37) | CYP3A4CYP2C9CYP2C19GAANAMPT | |
| Trifluoroacetic Acid SCHEMBL17558354 | 0.78 | AR (0.40) | CYP3A4CYP2C9CYP2C19GAANAMPT | |
| Trifluoroacetic Acid SCHEMBL17558366 | 0.77 | IGF1R (0.38) | CYP3A4CYP2C9CYP2C19GAANAMPT | |
| SCHEMBL6172121 | 0.76 | AR (0.44) | CYP3A4CYP2C9CYP2C19GAANAMPT | |
| SCHEMBL6178355 | 0.76 | AR (0.44) | CYP3A4CYP2C9CYP2C19GAANAMPT | |
| SCHEMBL3728275 | 0.75 | IGF1R (0.41) | GAAPTPRZ1ALDH1A1MAPTIGF1R | |
| Trifluoroacetic Acid SCHEMBL17558384 | 0.74 | IGF1R (0.51) | PTPRZ1NAMPTALDH1A1IGF1RAR | |
| SCHEMBL6172757 | 0.70 | IGF1R (0.57) | NAMPTALDH1A1THRBIGF1RKMT2A | |
| SCHEMBL6171997 | 0.70 | IGF1R (0.41) | CYP3A4CYP2C9CYP2C19GAANAMPT |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3188729-A1 | CYCLIC UREA COMPOUNDS AS TROPOMYOSIN-RELATED KINASE (TRK) INHIBITORS | Genzyme Corporation (US) | 2017-07-12 | — | — | EP | disclosed |
| WO-2016036796-A1 | CYCLIC UREA COMPOUNDS AS TROPOMYOSIN-RELATED KINASE (TRK) INHIBITORS | GENZYME CORPORATION (US) | 2016-03-10 | — | — | WO | disclosed |