Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 10/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.38 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | PKM | P14618 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 2/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | EGLN1 | Q9GZT9 | 1/20 | 0.35 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.35 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.35 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | CRHBP | P24387 | 1/20 | 0.34 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL2084858 | 0.89 | ADORA2A (0.40) | KDM4EALDH1A1MAPTKMT2AADORA2A | |
| SCHEMBL2082555 | 0.85 | MRGPRX4 (0.39) | KDM4EALDH1A1MAPTKMT2AADORA2A | |
| SCHEMBL2084345 | 0.82 | ADORA2A (0.36) | KDM4EALDH1A1MEN1KMT2AADORA2A | |
| SCHEMBL2081315 | 0.81 | CXCR4 (0.49) | KDM4EALDH1A1MAPTMEN1KMT2A | |
| SCHEMBL2085274 | 0.78 | ATR (0.36) | KDM4EALDH1A1PKMKMT2AADORA2A | |
| SCHEMBL4364791 | 0.78 | F2 (0.40) | KDM4EALDH1A1TDP1HIF1ATSHR | |
| SCHEMBL4033882 | 0.76 | KDM4E (0.33) | KDM4EALDH1A1TDP1HIF1AMAPT | |
| SCHEMBL22894683 | 0.75 | TDP1 (0.53) | KDM4ETDP1MAPTLMNAMEN1 | |
| SCHEMBL4030664 | 0.74 | PDE5A (0.35) | KDM4EALDH1A1EGLN1ALOX15HSD17B10 | |
| SCHEMBL4030668 | 0.73 | CXCR4 (0.34) | MEN1KMT2AHPGD |
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-1613613-A4 | CXCR4 CHEMOKINE RECEPTOR BINDING COMPOUNDS | ANORMED INC (CA) | 2009-03-25 | — | — | EP | disclosed |
| EP-1613613-A2 | CXCR4 CHEMOKINE RECEPTOR BINDING COMPOUNDS | ANORMED INC. (CA) | 2006-01-11 | — | — | EP | disclosed |
| WO-2004091518-A2 | CXCR4 CHEMOKINE RECEPTOR BINDING COMPOUNDS | ANORMED INC. (CA) | 2004-10-28 | — | — | WO | disclosed |