Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CXCR4 | P61073 | 11/20 | 0.76 |
| ▸ | MEN1 | O00255 | 1/20 | 0.76 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.76 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.76 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.76 |
| ▸ | CCR2 | P41597 | 1/20 | 0.76 |
| ▸ | CXCL12 | P48061 | 1/20 | 0.76 |
| ▸ | BLM | P54132 | 1/20 | 0.76 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.76 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.76 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.76 |
| ▸ | SIGMAR1 | Q99720 | 4/20 | 0.74 |
| ▸ | POLB | P06746 | 1/20 | 0.71 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.71 |
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 | |
|---|---|---|---|---|
| SCHEMBL30239538 | 0.94 | SIGMAR1 (0.71) | CXCR4MEN1CHRM2CHRM1ADRA2C | |
| SCHEMBL593869 | 0.94 | SIGMAR1 (0.71) | CXCR4MEN1CHRM2CHRM1ADRA2C | |
| Hydrochloric Acid SCHEMBL6645506 | 0.92 | SIGMAR1 (0.69) | CXCR4MEN1CHRM2CHRM1ADRA2C | |
| Piperazine SCHEMBL28078028 | 0.92 | SIGMAR1 (0.69) | CXCR4MEN1CHRM2CHRM1ADRA2C | |
| Plerixafor SCHEMBL19038 | 0.87 | CXCR4 (1.00) | CXCR4MEN1CHRM2CHRM1ADRA2C | |
| SCHEMBL5611617 | 0.87 | CXCR4 (1.00) | CXCR4MEN1CHRM2CHRM1ADRA2C | |
| SCHEMBL29490414 | 0.87 | CXCR4 (1.00) | CXCR4MEN1CHRM2CHRM1ADRA2C | |
| Hydrochloric Acid SCHEMBL7612104 | 0.85 | CXCR4 (1.00) | CXCR4MEN1CHRM2CHRM1ADRA2C | |
| Hydrochloric Acid SCHEMBL7610931 | 0.85 | CXCR4 (1.00) | CXCR4MEN1CHRM2CHRM1ADRA2C | |
| Plerixafor SCHEMBL414153 | 0.85 | CXCR4 (1.00) | CXCR4MEN1CHRM2CHRM1ADRA2C |
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-4599414-A | ANTHISTAMINES, VASODILATORS | EISAI CO., LTD. (JP) | 1986-07-08 | — | — | US | disclosed |
| EP-0023350-A1 | Theophylline derivatives, a process for the preparation of the same and a therapeutical composition | Eisai Co., Ltd. (JP) | 1981-02-04 | — | — | EP | disclosed |