Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPK1 | P28482 | 2/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 4/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.37 |
| ▸ | CACNA1B | Q00975 | 2/20 | 0.37 |
| ▸ | CACNA2D1 | P54289 | 1/20 | 0.37 |
| ▸ | CACNB1 | Q02641 | 1/20 | 0.37 |
| ▸ | CACNA1C | Q13936 | 1/20 | 0.37 |
| ▸ | IDO1 | P14902 | 1/20 | 0.37 |
| ▸ | TDO2 | P48775 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.36 |
| ▸ | CNR2 | P34972 | 2/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | CNR1 | P21554 | 2/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.34 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.34 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL65457 | 0.82 | CACNA2D1 (0.37) | MAPK1HTTCACNA1BCACNA2D1CACNB1 | |
| SCHEMBL15577652 | 0.78 | PTGDR2 (0.39) | HTTMEN1KMT2ACYP19A1POLB | |
| Ammonia Solution, Strong SCHEMBL6001428 | 0.77 | HTT (0.40) | MAPK1HTTSMN1; SMN2ALDH1A1MEN1 | |
| SCHEMBL27506211 | 0.77 | IDO1 (0.40) | MAPK1HTTSMN1; SMN2ALDH1A1MEN1 | |
| SCHEMBL15577608 | 0.77 | IDO1 (0.40) | MAPK1HTTSMN1; SMN2ALDH1A1MEN1 | |
| SCHEMBL6001426 | 0.76 | HRH1 (0.53) | MAPK1HTTSMN1; SMN2ALDH1A1KMT2A | |
| SCHEMBL15577528 | 0.75 | HTR2A (0.41) | MAPK1SMN1; SMN2ALDH1A1MEN1KMT2A | |
| SCHEMBL29791196 | 0.74 | TBXA2R (0.42) | ALDH1A1CACNA1BGAACYP19A1CNR2 | |
| SCHEMBL30758302 | 0.74 | TBXA2R (0.42) | ALDH1A1CACNA1BGAACYP19A1CNR2 | |
| SCHEMBL777581 | 0.74 | ALDH1A1 (0.40) | ALDH1A1GAACNR2CYP3A4 |
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-2895482-A1 | HIV PROTEASE INHIBITORS | Merck Sharp & Dohme Corp. (US) | 2015-07-22 | — | — | EP | disclosed |
| WO-2014043019-A1 | HIV PROTEASE INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2014-03-20 | — | — | WO | disclosed |