Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSL | P07711 | 2/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | THRB | P10828 | 1/20 | 0.39 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.39 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | CTSB | P07858 | 2/20 | 0.38 |
| ▸ | ATM | Q13315 | 1/20 | 0.38 |
| ▸ | PARP1 | P09874 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 2/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.37 |
| ▸ | CTSV | O60911 | 1/20 | 0.37 |
| ▸ | CTSS | P25774 | 1/20 | 0.37 |
| ▸ | CTSK | P43235 | 1/20 | 0.37 |
| ▸ | FBP1 | P09467 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | KCNK3 | O14649 | 1/20 | 0.36 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.36 |
| ▸ | KCNK9 | Q9NPC2 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL12756951 | 0.82 | NPC1 (0.61) | CTSLNPC1RAB9AHDAC8HDAC6 | |
| SCHEMBL19519479 | 0.81 | TAS1R3 (0.45) | NPC1RAB9AHDAC8HDAC6POLB | |
| SCHEMBL9881330 | 0.77 | HDAC8 (0.46) | NPC1RAB9AHDAC8HDAC6POLB | |
| Hydrochloric Acid SCHEMBL28557833 | 0.76 | HPGD (0.45) | NPC1RAB9AHDAC8HDAC6POLB | |
| M-Xylene SCHEMBL716015 | 0.73 | THRB (0.53) | THRBMEN1KMT2AHTT | |
| SCHEMBL28843558 | 0.72 | NPC1 (0.52) | NPC1RAB9AHDAC8HDAC6MEN1 | |
| SCHEMBL29967222 | 0.71 | HDAC8 (0.60) | NPC1RAB9AHDAC8HDAC6POLB | |
| SCHEMBL8268335 | 0.71 | HDAC8 (0.50) | NPC1RAB9AHDAC8HDAC6POLB | |
| SCHEMBL396668 | 0.71 | HDAC8 (0.60) | NPC1RAB9AHDAC8HDAC6POLB | |
| SCHEMBL23367955 | 0.70 | CTSL (0.64) | CTSLNPC1RAB9AHDAC8HDAC6 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3798214-A1 | MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR | Vertex Pharmaceuticals Incorporated (US) | 2021-03-31 | — | — | EP | disclosed |