Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 4/20 | 0.61 |
| ▸ | CHRM5 | P08912 | 2/20 | 0.46 |
| ▸ | CHRM3 | P20309 | 2/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.43 |
| ▸ | MDM2 | Q00987 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | CXCR4 | P61073 | 6/20 | 0.41 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.40 |
| ▸ | OPRD1 | P41143 | 2/20 | 0.40 |
| ▸ | OPRK1 | P41145 | 2/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.37 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.37 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.37 |
| ▸ | CCR2 | P41597 | 1/20 | 0.37 |
| ▸ | CXCL12 | P48061 | 1/20 | 0.37 |
| ▸ | BLM | P54132 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | HRH3 | Q9Y5N1 | 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 | |
|---|---|---|---|---|
| SCHEMBL11608912 | 0.93 | SIGMAR1 (0.66) | SIGMAR1CHRM5CHRM3KDM4EMDM2 | |
| SCHEMBL12629398 | 0.86 | SIGMAR1 (0.54) | SIGMAR1CHRM5CHRM3KDM4EMDM2 | |
| SCHEMBL20605092 | 0.84 | KDM4E (0.50) | SIGMAR1KDM4EMDM2ALDH1A1KMT2A | |
| SCHEMBL2011012 | 0.83 | SIGMAR1 (0.64) | SIGMAR1CHRM5CHRM3ALDH1A1CXCR4 | |
| SCHEMBL6039643 | 0.82 | KDM4E (0.49) | SIGMAR1KDM4EMDM2ALDH1A1KMT2A | |
| SCHEMBL29700458 | 0.82 | KDM4E (0.53) | SIGMAR1KDM4EMDM2ALDH1A1KMT2A | |
| Hydrochloric Acid SCHEMBL2009563 | 0.81 | SIGMAR1 (0.62) | SIGMAR1CHRM5CHRM3ALDH1A1CXCR4 | |
| SCHEMBL11697620 | 0.79 | SIGMAR1 (0.88) | SIGMAR1CHRM5CHRM3KDM4EMDM2 | |
| SCHEMBL665674 | 0.77 | SIGMAR1 (0.61) | SIGMAR1CHRM5CHRM3KDM4EMDM2 | |
| SCHEMBL12226505 | 0.77 | CHRM5 (0.53) | SIGMAR1CHRM5CHRM3ALDH1A1CXCR4 |
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 |
|---|---|---|---|---|---|---|---|
| US-6686353-B1 | PREVENTING BLOOD MONOCYTES AND LYMPHOCYTES FROM INFILTRATING TISSUE | TEIJIN INTELLECTUAL PROPERTY CENTER LIMITED (JP) | 2004-02-03 | — | — | US | disclosed |
| EP-0914319-B1 | DIARYLALKYL CYCLIC DIAMINE DERIVATIVES AS CHEMOKINE RECEPTOR ANTAGONISTS | TEIJIN LTD (JP) | 2001-11-21 | — | — | EP | disclosed |