Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 3/20 | 0.47 |
| ▸ | RAB9A | P51151 | 3/20 | 0.47 |
| ▸ | MAPK9 | P45984 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.45 |
| ▸ | MEN1 | O00255 | 4/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.45 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.45 |
| ▸ | TP53 | P04637 | 1/20 | 0.45 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.45 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.45 |
| ▸ | RELA | Q04206 | 1/20 | 0.45 |
| ▸ | OGA | O60502 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 4/20 | 0.44 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.43 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | MAOA | P21397 | 1/20 | 0.43 |
| ▸ | MAOB | P27338 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL8874548 | 0.92 | MAPK9 (0.52) | MAPK9KMT2AMEN1PTGS1PTGS2 | |
| SCHEMBL3740095 | 0.81 | CYP2C9 (0.61) | KMT2AMEN1NFKB1PTGS1CYP2D6 | |
| SCHEMBL3740089 | 0.81 | CYP2C9 (0.61) | KMT2AMEN1NFKB1PTGS1CYP2D6 | |
| SCHEMBL5281154 | 0.80 | MAPK9 (0.52) | MAPK9KMT2AMEN1PTGS1PTGS2 | |
| SCHEMBL16208746 | 0.79 | PTGS1 (0.55) | MAPK9KMT2AMEN1PTGS1PTGS2 | |
| SCHEMBL5279500 | 0.79 | PTGS1 (0.55) | MAPK9KMT2AMEN1PTGS1PTGS2 | |
| SCHEMBL7433780 | 0.79 | PTGS1 (0.55) | MAPK9KMT2AMEN1PTGS1PTGS2 | |
| SCHEMBL15579108 | 0.78 | NPC1 (0.41) | NPC1RAB9AMAPK9KMT2AMEN1 | |
| SCHEMBL15872468 | 0.78 | NPC1 (0.41) | NPC1RAB9AMAPK9KMT2AMEN1 | |
| SCHEMBL7684418 | 0.76 | MAPK9 (0.55) | MAPK9KMT2AMEN1PTGS1PTGS2 |
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-9840478-B2 | Piperazine derivatives as HIV protease inhibitors | MERCK SHARP & DOHME CORP. (US) | 2017-12-12 | — | — | US | disclosed |