Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GSK3B | P49841 | 2/20 | 0.59 |
| ▸ | CES2 | O00748 | 2/20 | 0.56 |
| ▸ | CES1 | P23141 | 2/20 | 0.56 |
| ▸ | SRD5A2 | P31213 | 2/20 | 0.47 |
| ▸ | RAPGEF3 | O95398 | 2/20 | 0.47 |
| ▸ | RAPGEF4 | Q8WZA2 | 2/20 | 0.47 |
| ▸ | PTPN1 | P18031 | 2/20 | 0.46 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.46 |
| ▸ | NR4A1 | P22736 | 1/20 | 0.42 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.42 |
| ▸ | NR4A3 | Q92570 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | MMP1 | P03956 | 1/20 | 0.40 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.40 |
| ▸ | KIF11 | P52732 | 1/20 | 0.40 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.40 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL1858924 | 0.82 | GSK3B (0.56) | GSK3BCES2CES1SRD5A2RAPGEF3 | |
| SCHEMBL3660532 | 0.79 | LMNA (0.55) | GSK3BCES2CES1PTPN1HPGD | |
| SCHEMBL15288687 | 0.76 | GSK3B (0.44) | GSK3BCES2CES1SRD5A2RAPGEF3 | |
| SCHEMBL10847368 | 0.76 | CES2 (0.69) | GSK3BCES2CES1SRD5A2PTPN1 | |
| SCHEMBL9818928 | 0.75 | EPHX2 (0.50) | GSK3BCES2CES1RAPGEF3RAPGEF4 | |
| SCHEMBL14364710 | 0.75 | GSK3B (0.47) | GSK3BCES2CES1SRD5A2RAPGEF3 | |
| SCHEMBL6831516 | 0.75 | CA1 (0.50) | GSK3BCES2CES1SRD5A2RAPGEF3 | |
| SCHEMBL6784646 | 0.75 | GSK3B (1.00) | GSK3BCES2CES1SRD5A2PTPN1 | |
| SCHEMBL11203708 | 0.75 | CES2 (0.59) | GSK3BCES2CES1SRD5A2PTPN1 | |
| SCHEMBL8534398 | 0.75 | GSK3B (0.66) | GSK3BCES2CES1SRD5A2PTPN1 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2013144191-A1 | SUBSTITUTED 2-AMINO-3-CYANOPYRIDINES AS INHIBITORS OF SODIUM-CALCIUM EXCHANGE AND USE THEREOF FOR CARDIOVASCULAR DISEASES | BAYER INTELLECTUAL PROPERTY GMBH (DE) | 2013-10-03 | — | — | WO | disclosed |
| WO-2013144191-A1 | SUBSTITUTED 2-AMINO-3-CYANOPYRIDINES AS INHIBITORS OF SODIUM-CALCIUM EXCHANGE AND USE THEREOF FOR CARDIOVASCULAR DISEASES | BAYER INTELLECTUAL PROPERTY GMBH (DE) | 2013-10-03 | — | — | WO | disclosed |
| US-5922741-A | 5-aminopyrazoles useful as tyrosine kinase inhibitors | CELLTECH THERAPEUTICS LTD. (GB) | 1999-07-13 | — | — | US | disclosed |
| EP-0906286-A1 | 5-AMINOPYRAZOLES USEFUL AS SELECTIVE INHIBITORS OF THE PROTEIN TYROSINE KINASE P56ICK | CELLTECH THERAPEUTICS LIMITED (GB) | 1999-04-07 | — | — | EP | disclosed |
| WO-1997040019-A1 | 5-AMINOPYRAZOLES USEFUL AS SELECTIVE INHIBITORS OF THE PROTEIN TYROSINE KINASE P56ICK | CELLTECH THERAPEUTICS LIMITED (GB) | 1997-10-30 | — | — | WO | disclosed |