Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRM2 | P08172 | 1/20 | 0.36 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.36 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.36 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.36 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 2/20 | 0.35 |
| ▸ | ALOX5 | P09917 | 3/20 | 0.35 |
| ▸ | NPC1 | O15118 | 2/20 | 0.34 |
| ▸ | RAB9A | P51151 | 2/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.34 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.33 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 3/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.32 |
| ▸ | LMNA | P02545 | 2/20 | 0.32 |
| ▸ | HPGD | P15428 | 2/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL6315948 | 0.93 | GAA (0.40) | CHRM2CHRM4CHRM5CHRM1CHRM3 | |
| SCHEMBL6316385 | 0.83 | GAA (0.49) | GAAALOX5NPC1RAB9AKMT2A | |
| SCHEMBL6659460 | 0.80 | GAA (0.39) | CHRM2CHRM4CHRM5CHRM1CHRM3 | |
| SCHEMBL6654086 | 0.80 | ALDH1A1 (0.38) | CHRM2CHRM4CHRM5CHRM1CHRM3 | |
| SCHEMBL6651182 | 0.80 | DRD2 (0.44) | CHRM2CHRM4CHRM5CHRM1CHRM3 | |
| SCHEMBL6649651 | 0.77 | CCR5 (0.36) | CHRM2CHRM4CHRM5CHRM1CHRM3 | |
| SCHEMBL6315446 | 0.74 | GAA (0.47) | CHRM2CHRM4CHRM5CHRM1CHRM3 | |
| SCHEMBL6314397 | 0.74 | HRH3 (0.51) | KCNH2ALDH1A1 | |
| SCHEMBL6316026 | 0.73 | GAA (0.47) | CHRM2CHRM4CHRM5CHRM1CHRM3 | |
| SCHEMBL6316042 | 0.73 | GAA (0.47) | GAAALOX5NPC1RAB9AKMT2A |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1377549-A1 | FUNCTIONALIZED HETEROCYCLES AS MODULATORS OF CHEMOKINE RECEPTOR FUNCTION AND METHODS OF USE THEREFOR | Millennium Pharmaceuticals, Inc. (US) | 2004-01-07 | — | — | EP | disclosed |
| WO-2002072549-A1 | FUNCTIONALIZED HETEROCYCLES AS MODULATORS OF CHEMOKINE RECEPTOR FUNCTION AND METHODS OF USE THEREFOR | MILLENNIUM PHARMACEUTICALS, INC. (US) | 2002-09-19 | — | — | WO | disclosed |