Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 8/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | PKM | P14618 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 2/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.30 |
| ▸ | MAPKAPK2 | P49137 | 1/20 | 0.30 |
| ▸ | FNTA | P49354 | 1/20 | 0.30 |
| ▸ | FNTB | P49356 | 1/20 | 0.30 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.30 |
| ▸ | CXCR3 | P49682 | 1/20 | 0.30 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.30 |
| ▸ | HCRTR2 | O43614 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL7147425 | 0.77 | CXCR4 (0.44) | — | |
| SCHEMBL4036473 | 0.76 | KDM4E (0.41) | KDM4EALDH1A1TDP1ALOX15HSD17B10 | |
| SCHEMBL2084858 | 0.68 | ADORA2A (0.40) | KDM4EALDH1A1MAPTKMT2ACYP1A2 | |
| SCHEMBL2085274 | 0.68 | ATR (0.36) | KDM4EALDH1A1HSD17B10PKMKMT2A | |
| SCHEMBL7149584 | 0.66 | CXCR4 (0.40) | — | |
| SCHEMBL2082555 | 0.65 | MRGPRX4 (0.39) | KDM4EALDH1A1MAPTKMT2A | |
| SCHEMBL29575263 | 0.64 | ALDH1A1 (0.52) | KDM4EALDH1A1TDP1ALOX15HSD17B10 | |
| SCHEMBL2081315 | 0.64 | CXCR4 (0.49) | KDM4EALDH1A1MAPTMEN1KMT2A | |
| SCHEMBL2084345 | 0.63 | ADORA2A (0.36) | KDM4EALDH1A1MEN1KMT2A | |
| SCHEMBL4035655 | 0.63 | DRD2 (0.39) | KDM4EALDH1A1MEN1KMT2A |
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 |