Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 1/20 | 0.50 |
| ▸ | CES1 | P23141 | 1/20 | 0.50 |
| ▸ | MEN1 | O00255 | 5/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.35 |
| ▸ | CRHBP | P24387 | 1/20 | 0.35 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.35 |
| ▸ | DPP4 | P27487 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | PKM | P14618 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 2/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.32 |
| ▸ | CA1 | P00915 | 1/20 | 0.31 |
| ▸ | CA2 | P00918 | 1/20 | 0.31 |
| ▸ | BRD4 | O60885 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | METAP2 | P50579 | 1/20 | 0.30 |
| ▸ | LMNA | P02545 | 1/20 | 0.30 |
| ▸ | TP53 | P04637 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL26364830 | 0.95 | CES2 (0.48) | CES2CES1MEN1KMT2ASMN1; SMN2 | |
| SCHEMBL10563656 | 0.92 | CES2 (0.46) | CES2CES1MEN1KMT2ASMN1; SMN2 | |
| SCHEMBL8726566 | 0.92 | CES2 (0.46) | CES2CES1MEN1KMT2ASMN1; SMN2 | |
| SCHEMBL4936537 | 0.90 | CES2 (0.42) | CES2CES1SMN1; SMN2DPP4HTT | |
| SCHEMBL10406919 | 0.90 | CES2 (0.42) | CES2CES1SMN1; SMN2DPP4HTT | |
| SCHEMBL8727075 | 0.87 | CES2 (0.41) | CES2CES1SMN1; SMN2DPP4HTT | |
| SCHEMBL2916433 | 0.87 | CES2 (0.52) | CES2CES1MEN1KMT2ASMN1; SMN2 | |
| SCHEMBL542808 | 0.87 | CES2 (0.46) | CES2CES1MEN1KMT2ASMN1; SMN2 | |
| SCHEMBL8680478 | 0.85 | CES2 (0.50) | CES2CES1MEN1KMT2ASMN1; SMN2 | |
| SCHEMBL203915 | 0.84 | CES2 (0.43) | CES2CES1MEN1KMT2ASMN1; SMN2 |
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 |
|---|---|---|---|---|---|---|---|
| US-20200399196-A1 | Hydrogen Bond Directed Photocatalytic Hydrodefluorination and Methods of Use Thereof | UNIV OKLAHOMA STATE (US) | 2020-12-24 | — | — | US | disclosed |
| WO-2018187336-A1 | HYDROGEN BOND DIRECTED PHOTOCATALYTIC HYDRODEFLUORINATION AND METHODS OF USE THEREOF | THE BOARD OF REGENTS FOR OKLAHOMA STATE UNIVERSITY (US) | 2018-10-11 | — | — | WO | disclosed |