Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGDR2 | Q9Y5Y4 | 3/20 | 0.39 |
| ▸ | EPHX2 | P34913 | 2/20 | 0.38 |
| ▸ | CYP19A1 | P11511 | 9/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
| ▸ | P4HB | P07237 | 1/20 | 0.33 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL15577714 | 0.79 | PTGDR2 (0.44) | PTGDR2EPHX2POLBROCK2 | |
| SCHEMBL15577716 | 0.79 | PTGDR2 (0.44) | PTGDR2EPHX2POLBROCK2 | |
| SCHEMBL15577609 | 0.78 | MAPK1 (0.40) | CYP19A1POLBLMNAHTTMEN1 | |
| SCHEMBL65457 | 0.77 | CACNA2D1 (0.37) | CYP19A1LMNAHTTNPSR1 | |
| SCHEMBL27684813 | 0.72 | CTSA (0.37) | PTGDR2LOXL2ROCK2MEN1KMT2A | |
| SCHEMBL15577528 | 0.71 | HTR2A (0.41) | POLBLMNANPSR1MEN1KMT2A | |
| SCHEMBL13599959 | 0.70 | KMT2A (0.45) | POLBLMNAROCK2MEN1KMT2A | |
| SCHEMBL6962007 | 0.69 | SERPINH1 (0.41) | LMNAHTT | |
| SCHEMBL16823457 | 0.69 | LMNA (0.40) | PTGDR2EPHX2POLBLMNAHTT | |
| SCHEMBL16823460 | 0.69 | LMNA (0.40) | PTGDR2EPHX2POLBLMNAHTT |
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 |