Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EPHX1 | P07099 | 1/20 | 0.43 |
| ▸ | KCNJ1 | P48048 | 1/20 | 0.41 |
| ▸ | CCR5 | P51681 | 3/20 | 0.40 |
| ▸ | HTR2A | P28223 | 2/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | KDM1A | O60341 | 1/20 | 0.38 |
| ▸ | CACNA1G | O43497 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.37 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL7664598 | 0.92 | EPHX1 (0.48) | EPHX1CCR5HTR2AL3MBTL1MEN1 | |
| Trifluoroacetic Acid SCHEMBL7731077 | 0.86 | HTR2A (0.44) | EPHX1KCNJ1CCR5HTR2AL3MBTL1 | |
| SCHEMBL7723375 | 0.80 | CCR5 (0.43) | EPHX1KCNJ1CCR5HTR2AL3MBTL1 | |
| Hydrochloric Acid SCHEMBL7668700 | 0.79 | HTR2A (0.48) | EPHX1CCR5HTR2AL3MBTL1ALDH1A1 | |
| Trifluoroacetic Acid SCHEMBL8095167 | 0.76 | SLC6A2 (0.41) | KCNJ1CCR5HTR2AALDH1A1SMN1; SMN2 | |
| Hydrochloric Acid SCHEMBL7131167 | 0.74 | CCR5 (0.51) | EPHX1CCR5HTR2AALDH1A1LMNA | |
| Trifluoroacetic Acid SCHEMBL7732700 | 0.73 | CCR5 (0.50) | CCR5HTR2A | |
| SCHEMBL8907138 | 0.72 | TSHR (0.59) | EPHX1L3MBTL1MEN1KMT2A | |
| Trifluoroacetic Acid SCHEMBL7732600 | 0.72 | SLC6A4 (0.48) | CCR5HTR2AALDH1A1 | |
| SCHEMBL28638303 | 0.71 | MEN1 (0.65) | CCR5MEN1KMT2AALDH1A1SMN1; SMN2 |
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 |
|---|---|---|---|---|---|---|---|
| US-6399619-B1 | PREVENTION AND TREATMENT OF AIDS AND VIRAL INFECTION BY HIV | MERCK & CO., INC. | 2002-06-04 | — | — | US | disclosed |