Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.35 |
| ▸ | CXCR4 | P61073 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | DRD2 | P14416 | 1/20 | 0.32 |
| ▸ | DRD3 | P35462 | 1/20 | 0.32 |
| ▸ | SLC6A1 | P30531 | 2/20 | 0.30 |
| ▸ | SLC6A11 | P48066 | 1/20 | 0.30 |
| ▸ | TSHR | P16473 | 1/20 | 0.30 |
| ▸ | LMNA | P02545 | 1/20 | 0.30 |
| ▸ | SLC6A13 | Q9NSD5 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL25040974 | 0.95 | — | — | |
| SCHEMBL25040502 | 0.95 | — | — | |
| SCHEMBL30917712 | 0.95 | — | — | |
| SCHEMBL25040506 | 0.95 | — | — | |
| Hydrochloric Acid SCHEMBL25287231 | 0.93 | CXCR4 (0.30) | SMN1; SMN2CXCR4ALDH1A1DRD2DRD3 | |
| Hydrochloric Acid SCHEMBL31385112 | 0.93 | CXCR4 (0.30) | SMN1; SMN2CXCR4ALDH1A1DRD2DRD3 | |
| Piperidine SCHEMBL28017265 | 0.90 | ALDH1A1 (0.45) | SMN1; SMN2CXCR4ALDH1A1 | |
| SCHEMBL1019673 | 0.84 | — | — | |
| SCHEMBL13632296 | 0.84 | — | — | |
| SCHEMBL12259738 | 0.84 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2009119858-A1 | BENZENE COMPOUND, AND USE THEREOF FOR MEDICAL PURPOSES | 田辺三菱製薬株式会社 (JP) | 2009-10-01 | — | — | WO | disclosed |