Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.47 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.47 |
| ▸ | CES1 | P23141 | 5/20 | 0.43 |
| ▸ | FDPS | P14324 | 1/20 | 0.42 |
| ▸ | FAAH | O00519 | 3/20 | 0.40 |
| ▸ | PTPN1 | P18031 | 3/20 | 0.40 |
| ▸ | ARG1 | P05089 | 1/20 | 0.39 |
| ▸ | ARG2 | P78540 | 1/20 | 0.39 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.38 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.38 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.38 |
| ▸ | PLA2G10 | O15496 | 1/20 | 0.38 |
| ▸ | PLA2G2A | P14555 | 1/20 | 0.38 |
| ▸ | PTPRC | P08575 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | PRMT1 | Q99873 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL28028200 | 0.85 | KEAP1 (0.50) | SMN1; SMN2HIF1ACES1FDPSFAAH | |
| SCHEMBL2345128 | 0.84 | KCNN4 (0.39) | — | |
| SCHEMBL6276750 | 0.81 | SMN1; SMN2 (0.50) | SMN1; SMN2HIF1ACES1FDPSFAAH | |
| SCHEMBL2340531 | 0.81 | FDPS (0.56) | HIF1AFDPSCYP1A2CYP2C9CYP2C19 | |
| SCHEMBL15619550 | 0.79 | SMN1; SMN2 (0.53) | SMN1; SMN2HIF1ACES1FAAHKEAP1 | |
| SCHEMBL28044400 | 0.78 | CA12 (0.49) | PTPN1TSHR | |
| SCHEMBL7902168 | 0.77 | ARG1 (0.59) | SMN1; SMN2HIF1AFDPSARG1ARG2 | |
| SCHEMBL4380578 | 0.77 | SMN1; SMN2 (0.46) | SMN1; SMN2HIF1ACES1FDPSARG1 | |
| SCHEMBL17594854 | 0.76 | CYP1A2 (0.61) | SMN1; SMN2HIF1AFDPSARG1ARG2 | |
| SCHEMBL29633636 | 0.75 | TDP1 (0.44) | SMN1; SMN2HIF1ACES1FDPSPTPN1 |
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-2361243-A2 | HALOALKYL CONTAINING COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS | Virobay, Inc. (US) | 2011-08-31 | — | — | EP | disclosed |