Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.63 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.63 |
| ▸ | MAPT | P10636 | 3/20 | 0.63 |
| ▸ | HPGD | P15428 | 3/20 | 0.63 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.63 |
| ▸ | TSHR | P16473 | 2/20 | 0.63 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.63 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.63 |
| ▸ | TP53 | P04637 | 1/20 | 0.63 |
| ▸ | HTT | P42858 | 1/20 | 0.63 |
| ▸ | RAB9A | P51151 | 4/20 | 0.60 |
| ▸ | NPC1 | O15118 | 3/20 | 0.60 |
| ▸ | PKM | P14618 | 2/20 | 0.60 |
| ▸ | LMNA | P02545 | 1/20 | 0.60 |
| ▸ | POLB | P06746 | 2/20 | 0.57 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.57 |
| ▸ | GAA | P10253 | 1/20 | 0.57 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.52 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL29076118 | 0.80 | KDM4E (0.70) | KDM4EALDH1A1MAPTHPGDSMN1; SMN2 | |
| SCHEMBL30581245 | 0.80 | KDM4E (0.70) | KDM4EALDH1A1MAPTHPGDSMN1; SMN2 | |
| SCHEMBL13071550 | 0.80 | CYP1A2 (0.59) | KDM4EALDH1A1MAPTHPGDSMN1; SMN2 | |
| SCHEMBL3972779 | 0.79 | LMNA (0.48) | KDM4EALDH1A1MAPTHPGDSMN1; SMN2 | |
| SCHEMBL2879788 | 0.79 | KDM4E (0.66) | KDM4EALDH1A1MAPTHPGDSMN1; SMN2 | |
| Ethane SCHEMBL2146950 | 0.78 | LMNA (0.63) | KDM4EALDH1A1MAPTHPGDSMN1; SMN2 | |
| SCHEMBL10061946 | 0.77 | KDM4E (1.00) | KDM4EALDH1A1MAPTHPGDSMN1; SMN2 | |
| Hydrochloric Acid SCHEMBL2146907 | 0.76 | KDM4E (0.62) | KDM4EALDH1A1MAPTHPGDSMN1; SMN2 | |
| SCHEMBL21776303 | 0.76 | LMNA (0.97) | KDM4EALDH1A1MAPTHPGDSMN1; SMN2 | |
| SCHEMBL12792776 | 0.76 | LMNA (0.54) | KDM4EALDH1A1MAPTHPGDSMN1; SMN2 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1465889-A4 | CHEMOKINE RECEPTOR BINDING HETEROCYCLIC COMPOUNDS WITH ENHANCED EFFICACY | ANORMED INC (CA) | 2008-05-14 | — | — | EP | disclosed |
| EP-1465889-A1 | CHEMOKINE RECEPTOR BINDING HETEROCYCLIC COMPOUNDS WITH ENHANCED EFFICACY | AnorMED Inc. (CA) | 2004-10-13 | — | — | EP | disclosed |
| WO-2003055876-A1 | CHEMOKINE RECEPTOR BINDING HETEROCYCLIC COMPOUNDS WITH ENHANCED EFFICACY | ANORMED INC. (CA) | 2003-07-10 | — | — | WO | disclosed |