Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CXCR4 | P61073 | 10/20 | 0.43 |
| ▸ | PHGDH | O43175 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.33 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.33 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.33 |
| ▸ | CCR2 | P41597 | 1/20 | 0.33 |
| ▸ | CXCL12 | P48061 | 1/20 | 0.33 |
| ▸ | BLM | P54132 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.33 |
| ▸ | SOS1 | Q07889 | 1/20 | 0.33 |
| ▸ | SOS2 | Q07890 | 1/20 | 0.33 |
| ▸ | CA2 | P00918 | 1/20 | 0.31 |
| ▸ | CHKA | P35790 | 1/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL18828511 | 1.00 | CXCR4 (0.43) | CXCR4PHGDHSMN1; SMN2ALDH1A1MEN1 | |
| SCHEMBL3992975 | 0.97 | CXCR4 (0.41) | CXCR4PHGDHSMN1; SMN2ALDH1A1MEN1 | |
| SCHEMBL2772577 | 0.97 | CXCR4 (0.44) | CXCR4PHGDHSMN1; SMN2ALDH1A1MEN1 | |
| SCHEMBL272114 | 0.97 | — | — | |
| SCHEMBL40173 | 0.97 | — | — | |
| N-Methyl Pyrrolidine (Nmp) SCHEMBL4901711 | 0.94 | CXCR4 (0.43) | CXCR4PHGDHSMN1; SMN2ALDH1A1MEN1 | |
| Piperazine SCHEMBL7550059 | 0.94 | CXCR4 (0.48) | CXCR4PHGDHSMN1; SMN2ALDH1A1MEN1 | |
| Hydrochloric Acid SCHEMBL22341586 | 0.94 | CXCR4 (0.43) | CXCR4PHGDHSMN1; SMN2ALDH1A1MEN1 | |
| Iodide SCHEMBL9066882 | 0.94 | — | — | |
| Hydrochloric Acid SCHEMBL7813671 | 0.94 | CXCR4 (0.43) | CXCR4PHGDHSMN1; SMN2ALDH1A1MEN1 |
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-2016163727-A9 | RADIOACTIVE PROBE FOR DETECTING HYDROGEN SULFIDE | 경북대학교 산학협력단 | 2017-05-11 | — | — | WO | disclosed |