Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTPRA | P18433 | 1/20 | 0.58 |
| ▸ | DPP4 | P27487 | 2/20 | 0.56 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.56 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.56 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.56 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.56 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.56 |
| ▸ | GRIN2C | Q14957 | 1/20 | 0.56 |
| ▸ | GRIN3A | Q8TCU5 | 1/20 | 0.56 |
| ▸ | FDPS | P14324 | 1/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 3/20 | 0.43 |
| ▸ | NPC1 | O15118 | 2/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | HRH1 | P35367 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL6532234 | 0.84 | SMN1; SMN2 (0.51) | PTPRADPP4GRIN2DGRIN3BGRIN1 | |
| SCHEMBL4301092 | 0.82 | MAPK1 (0.56) | PTPRADPP4GRIN2DGRIN3BGRIN1 | |
| SCHEMBL6997949 | 0.82 | GRIN2D (0.66) | PTPRADPP4GRIN2DGRIN3BGRIN1 | |
| SCHEMBL8507957 | 0.80 | KDM4E (0.57) | PTPRASMN1; SMN2CYP1A2CYP2D6MAPT | |
| SCHEMBL8509020 | 0.80 | PTPRA (0.51) | PTPRADPP4GRIN2DGRIN3BGRIN1 | |
| SCHEMBL28378998 | 0.80 | PTPRA (0.58) | PTPRAGRIN2DGRIN3BGRIN1GRIN2A | |
| SCHEMBL126508 | 0.79 | PTPRA (0.67) | PTPRADPP4GRIN2DGRIN3BGRIN1 | |
| SCHEMBL22409316 | 0.79 | PTPRA (0.67) | PTPRADPP4GRIN2DGRIN3BGRIN1 | |
| SCHEMBL29401000 | 0.79 | PTPRA (0.67) | PTPRADPP4GRIN2DGRIN3BGRIN1 | |
| SCHEMBL29805516 | 0.79 | PTPRA (0.67) | PTPRADPP4GRIN2DGRIN3BGRIN1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-104284891-B | Conformationally constrained, fully synthetic macrocyclic compounds | 波利弗尔股份公司 | 2018-04-17 | — | — | CN | disclosed |
| EP-2427476-A1 | BETA-HAIRPIN PEPTIDOMIMETICS HAVING CXCR4 ANTAGONIZING ACTIVITY | Polyphor Ag (CH) | 2012-03-14 | — | — | EP | disclosed |
| WO-2010127704-A1 | BETA-HAIRPIN PEPTIDOMIMETICS HAVING CXCR4 ANTAGONIZING ACTIVITY | POLYPHOR AG (CH) | 2010-11-11 | — | — | WO | disclosed |