Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.50 |
| ▸ | RECQL | P46063 | 1/20 | 0.50 |
| ▸ | CDK4 | P11802 | 1/20 | 0.49 |
| ▸ | CCND1 | P24385 | 1/20 | 0.49 |
| ▸ | PDE2A | O00408 | 1/20 | 0.48 |
| ▸ | MEN1 | O00255 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.47 |
| ▸ | KDM1A | O60341 | 2/20 | 0.46 |
| ▸ | HCRTR2 | O43614 | 4/20 | 0.46 |
| ▸ | HCRTR1 | O43613 | 3/20 | 0.46 |
| ▸ | ALOX5AP | P20292 | 2/20 | 0.46 |
| ▸ | FEN1 | P39748 | 2/20 | 0.46 |
| ▸ | PADI4 | Q9UM07 | 1/20 | 0.45 |
| ▸ | CHRM3 | P20309 | 3/20 | 0.45 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | MAP4K1 | Q92918 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL1029346 | 1.00 | TSHR (0.50) | TSHRRECQLCDK4CCND1PDE2A | |
| SCHEMBL14775851 | 0.93 | CDK4 (0.51) | TSHRRECQLCDK4CCND1MEN1 | |
| SCHEMBL1141205 | 0.93 | CDK4 (0.51) | TSHRRECQLCDK4CCND1MEN1 | |
| SCHEMBL1030833 | 0.87 | TSHR (0.67) | TSHRRECQLPDE2AALDH1A1HCRTR2 | |
| SCHEMBL1141626 | 0.86 | ALOX5AP (0.48) | TSHRRECQLPDE2AKDM1AHCRTR2 | |
| SCHEMBL1141622 | 0.86 | ALOX5AP (0.48) | TSHRRECQLPDE2AKDM1AHCRTR2 | |
| SCHEMBL1030808 | 0.86 | HCRTR1 (0.50) | TSHRRECQLPDE2AALDH1A1HCRTR2 | |
| Hydrochloric Acid SCHEMBL1141654 | 0.85 | ALOX5AP (0.47) | TSHRRECQLPDE2AKDM1AHCRTR2 | |
| Hydrochloric Acid SCHEMBL1141657 | 0.85 | ALOX5AP (0.47) | TSHRRECQLPDE2AKDM1AHCRTR2 | |
| SCHEMBL1141279 | 0.76 | CDK12 (0.44) | PDE2AMEN1ALDH1A1KMT2AHCRTR2 |
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-2318367-B1 | PIPERIDINE AND PYRROLIDINE COMPOUNDS | ACTELION PHARMACEUTICALS LTD (CH) | 2013-03-20 | — | — | EP | claimed |
| EP-2318367-B1 | PIPERIDINE AND PYRROLIDINE COMPOUNDS | ACTELION PHARMACEUTICALS LTD (CH) | 2013-03-20 | — | — | EP | disclosed |