Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 5/20 | 0.45 |
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.45 |
| ▸ | MAOA | P21397 | 4/20 | 0.40 |
| ▸ | MAOB | P27338 | 3/20 | 0.40 |
| ▸ | NISCH | Q9Y2I1 | 3/20 | 0.40 |
| ▸ | SIGMAR1 | Q99720 | 4/20 | 0.39 |
| ▸ | SLC18A2 | Q05940 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.37 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.37 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.37 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL4035437 | 0.87 | TRPA1 (0.36) | MEN1KMT2AMAOAMAOBNPC1 | |
| SCHEMBL7089658 | 0.81 | TSHR (0.43) | MEN1KMT2ANISCHNPC1RAB9A | |
| SCHEMBL2082260 | 0.77 | GABRA1 (0.39) | TAAR1MEN1KMT2ANPC1RAB9A | |
| SCHEMBL5574440 | 0.75 | TSHR (0.43) | RAB9AKDM4ECYP1A2TSHRSMN1; SMN2 | |
| SCHEMBL4030524 | 0.74 | MAOA (0.41) | TAAR1KMT2AMAOAMAOBNISCH | |
| SCHEMBL4033857 | 0.74 | ALDH1A1 (0.43) | TAAR1KMT2AMAOAMAOBNISCH | |
| SCHEMBL10964084 | 0.73 | PTGS2 (0.39) | MAOAKDM4ECYP1A2CYP2D6MAPT | |
| SCHEMBL15109806 | 0.73 | SLC6A2 (0.32) | KMT2ACYP1A2SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL23332480 | 0.72 | SLC6A2 (0.44) | KMT2ACYP2D6SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL4032491 | 0.72 | ADRB2 (0.37) | TSHRSMN1; 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-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 |