Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.49 |
| ▸ | GAA | P10253 | 2/20 | 0.49 |
| ▸ | MAPT | P10636 | 5/20 | 0.47 |
| ▸ | HPGD | P15428 | 2/20 | 0.47 |
| ▸ | ALOX12 | P18054 | 2/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.47 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | HSD17B3 | P37058 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 2/20 | 0.35 |
| ▸ | RAD52 | P43351 | 2/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | USP2 | O75604 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | THRB | P10828 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL22891090 | 0.79 | ABCB11 (0.38) | ALDH1A1GAAUSP2 | |
| SCHEMBL23386681 | 0.79 | ABCB11 (0.38) | ALDH1A1GAAUSP2 | |
| SCHEMBL14997683 | 0.75 | ALDH1A1 (0.55) | ALDH1A1GAAMAPTHPGDALOX12 | |
| SCHEMBL19718931 | 0.74 | ALDH1A1 (0.54) | ALDH1A1GAAMAPTHPGDALOX12 | |
| SCHEMBL5466833 | 0.73 | ALDH1A1 (0.57) | ALDH1A1GAAMAPTHPGDALOX12 | |
| SCHEMBL9610482 | 0.72 | ALDH1A1 (0.52) | ALDH1A1GAAMAPTHPGDALOX12 | |
| Sevitropium SCHEMBL1816494 | 0.72 | CHRNA7 (0.44) | ALDH1A1GAAMAPTHPGDALOX12 | |
| SCHEMBL21185020 | 0.72 | ALDH1A1 (0.55) | ALDH1A1GAAMAPTHPGDALOX12 | |
| SCHEMBL10239427 | 0.72 | ALDH1A1 (0.55) | ALDH1A1GAAMAPTHPGDALOX12 | |
| SCHEMBL3846181 | 0.71 | CA1 (0.42) | ALDH1A1MAPTHPGDTDP1POLB |
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-1060163-B1 | NEW PIPERAZINYL-SUBSTITUTED PYRIDYLALKANE, ALKENE AND ALKINE CARBOXAMIDES | KLINGE CO CHEM PHARM FAB (DE) | 2005-10-12 | — | — | EP | disclosed |
| US-6903118-B1 | Piperazinyl-substituted pyridylalkane, alkene and alkine carboxamides | KLINGE PHARMA GMBH (DE) | 2005-06-07 | — | — | US | disclosed |