Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCR5 | P51681 | 3/20 | 0.43 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.38 |
| ▸ | DPP4 | P27487 | 1/20 | 0.38 |
| ▸ | DPP8 | Q6V1X1 | 1/20 | 0.38 |
| ▸ | DPP7 | Q9UHL4 | 1/20 | 0.38 |
| ▸ | BCHE | P06276 | 2/20 | 0.38 |
| ▸ | ACHE | P22303 | 2/20 | 0.38 |
| ▸ | BACE1 | P56817 | 2/20 | 0.38 |
| ▸ | KCNJ1 | P48048 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | CACNA1G | O43497 | 1/20 | 0.37 |
| ▸ | HTR2A | P28223 | 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 | |
|---|---|---|---|---|
| SCHEMBL7731085 | 0.87 | CCR5 (0.42) | CCR5EPHX1HRH3HTR2A | |
| Trifluoroacetic Acid SCHEMBL7723374 | 0.80 | EPHX1 (0.43) | CCR5EPHX1ALDH1A1LMNAMEN1 | |
| SCHEMBL8095172 | 0.78 | CCR5 (0.42) | CCR5 | |
| Hydrochloric Acid SCHEMBL7664598 | 0.77 | EPHX1 (0.48) | CCR5EPHX1ALDH1A1LMNAMEN1 | |
| SCHEMBL7732703 | 0.74 | CCR5 (0.53) | CCR5 | |
| SCHEMBL7773992 | 0.72 | ALDH1A1 (0.51) | EPHX1ALDH1A1LMNAMEN1KMT2A | |
| SCHEMBL7733272 | 0.71 | HTR2A (0.47) | CCR5HRH3HTR2A | |
| SCHEMBL8907138 | 0.70 | TSHR (0.59) | EPHX1MEN1KMT2AL3MBTL1GAA | |
| SCHEMBL8439868 | 0.69 | EPHX1 (0.45) | EPHX1SIGMAR1DPP8KCNJ1 | |
| SCHEMBL8438723 | 0.69 | EPHX1 (0.45) | EPHX1SIGMAR1DPP8KCNJ1 |
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 |