Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSS | P25774 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.35 |
| ▸ | NPC1 | O15118 | 3/20 | 0.35 |
| ▸ | RAB9A | P51151 | 2/20 | 0.35 |
| ▸ | MAPT | P10636 | 2/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | CYP1A1 | P04798 | 3/20 | 0.34 |
| ▸ | CYP1B1 | Q16678 | 3/20 | 0.34 |
| ▸ | PLAU | P00749 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.33 |
| ▸ | MEN1 | O00255 | 3/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.33 |
| ▸ | PDPK1 | O15530 | 2/20 | 0.33 |
| ▸ | DAPK3 | O43293 | 1/20 | 0.33 |
| ▸ | PRKD3 | O94806 | 1/20 | 0.33 |
| ▸ | FLT1 | P17948 | 1/20 | 0.33 |
| ▸ | RPS6KA3 | P51812 | 1/20 | 0.33 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL7944203 | 0.90 | CTSS (0.40) | CTSSKDM4ENPC1RAB9AMAPT | |
| SCHEMBL883446 | 0.88 | MAPT (0.38) | CTSSKDM4ENPC1RAB9AMAPT | |
| SCHEMBL883451 | 0.88 | CTSS (0.39) | CTSSKDM4ENPC1RAB9AMAPT | |
| SCHEMBL3427399 | 0.88 | CTSS (0.39) | CTSSKDM4ENPC1RAB9AMAPT | |
| SCHEMBL8006162 | 0.88 | ALDH1A1 (0.37) | CTSSKDM4ENPC1RAB9AMAPT | |
| SCHEMBL8003749 | 0.88 | NPC1 (0.37) | CTSSKDM4ENPC1RAB9AMAPT | |
| SCHEMBL7993562 | 0.88 | SLC2A1 (0.36) | KDM4ENPC1RAB9AMAPTLMNA | |
| SCHEMBL13336763 | 0.87 | CTSS (0.37) | CTSSKDM4ENPC1RAB9AMAPT | |
| SCHEMBL874861 | 0.86 | CTSS (0.36) | CTSSKDM4ENPC1RAB9AMAPT | |
| SCHEMBL313693 | 0.86 | CTSS (0.38) | CTSSKDM4ENPC1RAB9AMAPT |
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-2250174-B1 | MACROCYCLIC SERINE PROTEASE INHIBITORS | IDENIX PHARMACEUTICALS INC (US) | 2013-08-28 | — | — | EP | disclosed |
| WO-2009099596-A2 | MACROCYCLIC SERINE PROTEASE INHIBITORS | IDENIX PHARAMACEUTICALS, INC. (US) | 2009-08-13 | — | — | WO | disclosed |