Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 10/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.45 |
| ▸ | HSD17B10 | Q99714 | 5/20 | 0.42 |
| ▸ | CASP1 | P29466 | 4/20 | 0.42 |
| ▸ | HPGD | P15428 | 5/20 | 0.42 |
| ▸ | GAA | P10253 | 4/20 | 0.42 |
| ▸ | ESR1 | P03372 | 1/20 | 0.42 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.42 |
| ▸ | CASP7 | P55210 | 3/20 | 0.40 |
| ▸ | RAB9A | P51151 | 2/20 | 0.40 |
| ▸ | TSHR | P16473 | 2/20 | 0.38 |
| ▸ | GLA | P06280 | 3/20 | 0.37 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.36 |
| ▸ | HTR6 | P50406 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | ATM | Q13315 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.36 |
| ▸ | GABRG2 | P18507 | 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 | |
|---|---|---|---|---|
| SCHEMBL9600108 | 0.82 | RAB9A (0.40) | KDM4EALDH1A1HSD17B10CASP1HPGD | |
| SCHEMBL23029803 | 0.78 | KDM4E (0.40) | KDM4EALDH1A1HSD17B10CASP1HPGD | |
| SCHEMBL9599021 | 0.76 | PIN1 (0.39) | KDM4EALDH1A1HPGDRAB9ANPC1 | |
| SCHEMBL9037112 | 0.73 | IRAK4 (0.46) | KDM4EALDH1A1HSD17B10CASP1HPGD | |
| SCHEMBL2200361 | 0.72 | KDM4E (0.42) | KDM4EALDH1A1HSD17B10CASP1HPGD | |
| SCHEMBL23107176 | 0.71 | TSHR (0.38) | KDM4EALDH1A1HPGDGAAESR1 | |
| SCHEMBL9036414 | 0.71 | PIK3CD (0.38) | KDM4EALDH1A1HPGDRAB9ALMNA | |
| SCHEMBL13556610 | 0.71 | HDAC8 (0.43) | KDM4EALDH1A1HSD17B10HPGDGAA | |
| SCHEMBL9037089 | 0.71 | GABRG2 (0.56) | KDM4EALDH1A1HPGDGAARAB9A | |
| SCHEMBL27711816 | 0.70 | KDM4E (0.36) | KDM4EALDH1A1HSD17B10CASP1HPGD |
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-0385634-B1 | Process for producing pyrido[1,2-a] pyrimidine derivative | WAKO PURE CHEM IND LTD (JP) | 1996-04-24 | — | — | EP | disclosed |
| WO-1993016070-A1 | 3-(PYRIDYLAMINO)-2-(1H^_-TETRAZOL-5-YL)-ACRYLNITRILES AND A PROCESS FOR THE PREPARATION THEREOF | CHINOIN GYÓGYSZER- ÉS VEGYÉSZETI TERMÉKEK GYÁRA RT. (HU) | 1993-08-19 | — | — | WO | disclosed |
| US-5081243-A | Process for producing 3-tetrazolyl pyrido[1,2-a]pyrimidine derivatives | WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) | 1992-01-14 | — | — | US | disclosed |
| EP-0385634-A2 | Process for producing pyrido[1,2-a] pyrimidine derivative | WAKO PURE CHEMICAL INDUSTRIES LTD (JP) | 1990-09-05 | — | — | EP | disclosed |