Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IGF1R | P08069 | 14/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | THPO | P40225 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | NTRK1 | P04629 | 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 | |
|---|---|---|---|---|
| Trifluoroacetic Acid SCHEMBL17558366 | 0.87 | IGF1R (0.38) | IGF1RALDH1A1CYP1A2CYP3A4CYP2D6 | |
| Trifluoroacetic Acid SCHEMBL3728810 | 0.77 | IGF1R (0.42) | IGF1R | |
| Trifluoroacetic Acid SCHEMBL17558419 | 0.76 | IGF1R (0.55) | IGF1R | |
| Trifluoroacetic Acid SCHEMBL17558363 | 0.75 | IGF1R (0.50) | IGF1RCYP3A4MAPK1 | |
| SCHEMBL6172123 | 0.74 | IGF1R (0.38) | IGF1RNTRK1 | |
| Trifluoroacetic Acid SCHEMBL17558337 | 0.74 | IGF1R (0.37) | IGF1RSMN1; SMN2NTRK1 | |
| SCHEMBL3728811 | 0.70 | IGF1R (0.34) | IGF1R | |
| Trifluoroacetic Acid SCHEMBL17558379 | 0.69 | IGF1R (0.42) | IGF1RNTRK1 | |
| SCHEMBL17558435 | 0.69 | IGF1R (0.36) | IGF1RNTRK1 | |
| Trifluoroacetic Acid SCHEMBL17558453 | 0.67 | IGF1R (0.44) | IGF1RCYP3A4CYP2C9CYP2C19 |
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 |