Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RET | P07949 | 1/20 | 0.51 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.51 |
| ▸ | CAMK1D | Q8IU85 | 1/20 | 0.51 |
| ▸ | HDAC6 | Q9UBN7 | 3/20 | 0.38 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.37 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.37 |
| ▸ | GPBAR1 | Q8TDU6 | 3/20 | 0.36 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.35 |
| ▸ | TBXA2R | P21731 | 2/20 | 0.33 |
| ▸ | OGFRL1 | Q5TC84 | 2/20 | 0.33 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.33 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.33 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.33 |
| ▸ | CNR1 | P21554 | 1/20 | 0.32 |
| ▸ | CNR2 | P34972 | 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 | |
|---|---|---|---|---|
| SCHEMBL16656820 | 0.86 | RET (0.49) | RETMAPK14CAMK1DHDAC6S1PR1 | |
| SCHEMBL3708801 | 0.77 | RET (0.51) | RETMAPK14CAMK1DHDAC6S1PR1 | |
| SCHEMBL1786883 | 0.77 | RET (0.51) | RETMAPK14CAMK1DHDAC6S1PR1 | |
| SCHEMBL3708800 | 0.77 | RET (0.51) | RETMAPK14CAMK1DHDAC6S1PR1 | |
| SCHEMBL1788714 | 0.77 | RET (0.51) | RETMAPK14CAMK1DHDAC6S1PR1 | |
| SCHEMBL1788712 | 0.77 | RET (0.51) | RETMAPK14CAMK1DHDAC6S1PR1 | |
| SCHEMBL20735243 | 0.77 | RET (0.50) | RETMAPK14CAMK1DHDAC6S1PR1 | |
| SCHEMBL11604288 | 0.74 | RET (0.49) | RETMAPK14CAMK1DHDAC6S1PR1 | |
| SCHEMBL23359386 | 0.73 | RET (0.48) | RETMAPK14CAMK1DHDAC6S1PR1 | |
| SCHEMBL23359376 | 0.73 | RET (0.48) | RETMAPK14CAMK1DHDAC6S1PR1 |
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 |
|---|---|---|---|---|---|---|---|
| US-9012658-B2 | Automated synthesis of small molecules using chiral, non-racemic boronates | THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) | 2015-04-21 | — | — | US | disclosed |