Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 2/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | NFE2L2 | Q16236 | 3/20 | 0.36 |
| ▸ | TSHR | P16473 | 2/20 | 0.35 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.34 |
| ▸ | FAAH | O00519 | 1/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | CYP17A1 | P05093 | 2/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | PKM | P14618 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | CYP19A1 | P11511 | 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 | |
|---|---|---|---|---|
| SCHEMBL5574440 | 0.88 | TSHR (0.43) | KDM4ETSHRLMNAPOLBALDH1A1 | |
| SCHEMBL21910135 | 0.77 | LMNA (0.45) | KDM4EALOX12MEN1KMT2ANPC1 | |
| SCHEMBL4035437 | 0.76 | TRPA1 (0.36) | KDM4EMEN1KMT2ANFE2L2NPC1 | |
| SCHEMBL7089658 | 0.75 | TSHR (0.43) | KDM4EMEN1KMT2ATSHRNPC1 | |
| SCHEMBL4032446 | 0.74 | NFE2L2 (0.36) | NFE2L2POLBALDH1A1 | |
| SCHEMBL21911301 | 0.73 | SLC6A2 (0.40) | NPC1LMNAPOLBALDH1A1CYP17A1 | |
| SCHEMBL23055173 | 0.73 | CYP17A1 (0.38) | KDM4EALOX12MEN1KMT2ANFE2L2 | |
| SCHEMBL30415398 | 0.72 | TRIM24 (0.32) | MEN1KMT2AALDH1A1PKM | |
| SCHEMBL2082260 | 0.71 | GABRA1 (0.39) | KDM4EMEN1KMT2ATSHRFAAH | |
| SCHEMBL1179712 | 0.71 | TRIM24 (0.38) | KDM4EMEN1KMT2ANFE2L2NPC1 |
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 |