Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDK2 | P24941 | 1/20 | 0.69 |
| ▸ | SMPD3 | Q9NY59 | 3/20 | 0.55 |
| ▸ | AXL | P30530 | 1/20 | 0.55 |
| ▸ | BMP4 | P12644 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | IRAK4 | Q9NWZ3 | 4/20 | 0.40 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.40 |
| ▸ | JAK1 | P23458 | 1/20 | 0.39 |
| ▸ | PIK3C3 | Q8NEB9 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.39 |
| ▸ | NPC1 | O15118 | 3/20 | 0.39 |
| ▸ | RAB9A | P51151 | 3/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | LMNA | P02545 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | NLRP3 | Q96P20 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL27040962 | 0.81 | CDK2 (0.69) | CDK2SMPD3AXLBMP4HTT | |
| SCHEMBL4473978 | 0.81 | CDK2 (1.00) | CDK2SMPD3AXLBMP4JAK1 | |
| Hydrochloric Acid SCHEMBL30375382 | 0.80 | CDK2 (0.96) | CDK2SMPD3AXLBMP4JAK1 | |
| SCHEMBL17561652 | 0.79 | CDK2 (0.65) | CDK2SMPD3AXLBMP4HTT | |
| SCHEMBL9933490 | 0.76 | CDK2 (0.43) | CDK2SMPD3AXLBMP4HTT | |
| Trifluoroacetic Acid SCHEMBL30279841 | 0.73 | CDK2 (0.73) | CDK2SMPD3AXLHTTIRAK4 | |
| SCHEMBL5791049 | 0.71 | SMPD3 (1.00) | CDK2SMPD3AXLBMP4HTT | |
| SCHEMBL1693808 | 0.71 | AXL (1.00) | CDK2SMPD3AXLBMP4HTT | |
| SCHEMBL28947639 | 0.71 | SMPD3 (0.66) | CDK2SMPD3AXLBMP4HTT | |
| SCHEMBL84781 | 0.71 | SMPD3 (0.60) | CDK2SMPD3AXLBMP4HTT |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3394066-A2 | PYRAZOLO[1,5a]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS | H. Hoffnabb-La Roche Ag (CH) | 2018-10-31 | — | — | EP | disclosed |
| WO-2017108723-A2 | PYRAZOLO[1,5a]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS | F. HOFFMANN-LA ROCHE AG (CH) | 2017-06-29 | — | — | WO | disclosed |
| EP-2233493-A1 | Macrolides | Pfizer Products Inc. (US) | 2010-09-29 | — | — | EP | disclosed |
| EP-1836211-B1 | MACROLIDES | PFIZER PROD INC (US) | 2010-03-03 | — | — | EP | disclosed |