Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 9/20 | 0.65 |
| ▸ | RAB9A | P51151 | 9/20 | 0.65 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.55 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.55 |
| ▸ | SMN1; SMN2 | Q16637 | 6/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.52 |
| ▸ | MAPT | P10636 | 5/20 | 0.52 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.52 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.52 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.52 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.52 |
| ▸ | MEN1 | O00255 | 2/20 | 0.51 |
| ▸ | POLB | P06746 | 1/20 | 0.51 |
| ▸ | PKM | P14618 | 2/20 | 0.50 |
| ▸ | HPGD | P15428 | 3/20 | 0.49 |
| ▸ | LMNA | P02545 | 1/20 | 0.49 |
| ▸ | GAA | P10253 | 1/20 | 0.48 |
| ▸ | THRB | P10828 | 1/20 | 0.47 |
| ▸ | TP53 | P04637 | 1/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL1623124 | 0.90 | NPC1 (0.54) | NPC1RAB9AKMT2APTGS2SMN1; SMN2 | |
| SCHEMBL11785020 | 0.78 | TP53 (0.73) | NPC1RAB9APTGS2SMN1; SMN2ALDH1A1 | |
| SCHEMBL30388616 | 0.77 | NPC1 (0.58) | NPC1RAB9AKMT2APTGS2SMN1; SMN2 | |
| SCHEMBL1343798 | 0.75 | KDM4E (0.63) | NPC1RAB9AKMT2ASMN1; SMN2ALDH1A1 | |
| SCHEMBL21366573 | 0.74 | NPC1 (0.54) | NPC1RAB9AKMT2APTGS2SMN1; SMN2 | |
| SCHEMBL23048315 | 0.73 | KCNMA1 (0.64) | NPC1RAB9AKMT2ASMN1; SMN2ALDH1A1 | |
| SCHEMBL18154023 | 0.73 | HDAC1 (0.62) | NPC1RAB9AKMT2ASMN1; SMN2MAPT | |
| SCHEMBL3530485 | 0.73 | MAPT (0.62) | NPC1RAB9AKMT2ASMN1; SMN2MAPT | |
| SCHEMBL400049 | 0.73 | KCNMA1 (0.64) | NPC1RAB9AKMT2ASMN1; SMN2ALDH1A1 | |
| SCHEMBL13102688 | 0.73 | KCNMA1 (0.60) | NPC1RAB9AKMT2ASMN1; SMN2ALDH1A1 |
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-3596067-B1 | PYRAZOLE DERIVATIVES FOR THE TREATMENT OF CYSTIC FIBROSIS | FONDAZIONE ST ITALIANO TECNOLOGIA (IT) | 2023-06-07 | — | — | EP | claimed |