Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.47 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | LMNA | P02545 | 2/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 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 | |
|---|---|---|---|---|
| SCHEMBL16430370 | 1.00 | TSHR (0.47) | TSHRL3MBTL1ALDH1A1KMT2ARAB9A | |
| SCHEMBL14511106 | 0.81 | ALDH1A1 (0.51) | TSHRL3MBTL1ALDH1A1KMT2ARAB9A | |
| SCHEMBL16439476 | 0.77 | MMP1 (0.53) | ALDH1A1 | |
| SCHEMBL17800326 | 0.77 | MMP1 (0.53) | ALDH1A1 | |
| SCHEMBL3920618 | 0.75 | LMNA (0.51) | TSHRL3MBTL1ALDH1A1KMT2ARAB9A | |
| SCHEMBL16439601 | 0.71 | TSHR (0.43) | TSHRL3MBTL1ALDH1A1KMT2ARAB9A | |
| SCHEMBL681675 | 0.70 | POLB (0.66) | TSHRALDH1A1KMT2AMEN1LMNA | |
| SCHEMBL5562598 | 0.70 | KMT2A (0.56) | TSHRALDH1A1KMT2ANPSR1CYP2C19 | |
| SCHEMBL29274225 | 0.70 | TP53 (0.39) | ALDH1A1CYP2C19MAPT | |
| SCHEMBL30319532 | 0.69 | MCOLN3 (0.53) | TSHRALDH1A1KMT2AMEN1LMNA |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3027593-A2 | PIPERAZINE DERIVATIVES AS HIV PROTEASE INHIBITORS | Merck Sharp & Dohme Corp. (US) | 2016-06-08 | — | — | EP | disclosed |
| WO-2015017393-A2 | PIPERAZINE DERIVATIVES AS HIV PROTEASE INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2015-02-05 | — | — | WO | disclosed |
| WO-2015013835-A1 | PIPERAZINE DERIVATIVES AS HIV PROTEASE INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2015-02-05 | — | — | WO | disclosed |