Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ARG1 | P05089 | 1/20 | 0.43 |
| ▸ | ARG2 | P78540 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 2/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | PARP1 | P09874 | 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 | |
|---|---|---|---|---|
| SCHEMBL1360119 | 0.93 | ARG1 (0.49) | ARG1ARG2MEN1KMT2AALDH1A1 | |
| SCHEMBL1360118 | 0.93 | ARG1 (0.49) | ARG1ARG2MEN1KMT2AALDH1A1 | |
| Hydrochloric Acid SCHEMBL30382824 | 0.91 | ARG1 (0.47) | ARG1ARG2MEN1KMT2AALDH1A1 | |
| Hydrochloric Acid SCHEMBL4684924 | 0.91 | ARG1 (0.47) | ARG1ARG2MEN1KMT2AALDH1A1 | |
| Ethylene Glycol SCHEMBL28530734 | 0.88 | ARG1 (0.45) | ARG1ARG2PARP1 | |
| SCHEMBL28516379 | 0.77 | ARG1 (0.37) | ARG1ARG2 | |
| SCHEMBL14265250 | 0.76 | ARG1 (0.54) | ARG1ARG2 | |
| SCHEMBL12764363 | 0.75 | ARG1 (0.36) | ARG1ARG2PARP1 | |
| SCHEMBL8190743 | 0.75 | ARG1 (0.36) | ARG1ARG2PARP1 | |
| SCHEMBL31106404 | 0.74 | ARG1 (0.47) | ARG1ARG2CYP2C19 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3829559-A1 | INHIBITORS OF HISTONE DEACETYLASE USEFUL FOR THE TREATMENT OR PREVENTION OF HIV INFECTION | Merck Sharp & Dohme Corp. (US) | 2021-06-09 | — | — | EP | disclosed |
| WO-2020028150-A1 | INHIBITORS OF HISTONE DEACETYLASE USEFUL FOR THE TREATMENT OR PREVENTION OF HIV INFECTION | MERCK SHARP & DOHME CORP. (US) | 2020-02-06 | — | — | WO | disclosed |