Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHEK1 | O14757 | 2/20 | 0.44 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.42 |
| ▸ | BTK | Q06187 | 3/20 | 0.41 |
| ▸ | NPC1 | O15118 | 4/20 | 0.40 |
| ▸ | RAB9A | P51151 | 4/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.40 |
| ▸ | KAT2B | Q92831 | 2/20 | 0.40 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.40 |
| ▸ | EGFR | P00533 | 1/20 | 0.39 |
| ▸ | NLRP3 | Q96P20 | 1/20 | 0.38 |
| ▸ | SCD5 | Q86SK9 | 5/20 | 0.38 |
| ▸ | SCD | O00767 | 1/20 | 0.38 |
| ▸ | USP30 | Q70CQ3 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL18518275 | 0.83 | CSF1R (0.48) | BTKNPC1RAB9ASMN1; SMN2S1PR1 | |
| SCHEMBL19649120 | 0.78 | BTK (0.61) | BTKKAT2BEGFR | |
| SCHEMBL24196488 | 0.78 | BTK (0.61) | BTKKAT2BEGFR | |
| SCHEMBL21899550 | 0.76 | BTK (0.44) | CHEK1LRRK2BTKKAT2BEGFR | |
| SCHEMBL18518831 | 0.76 | ALDH1A1 (0.50) | NPC1RAB9ASMN1; SMN2S1PR1SCD5 | |
| SCHEMBL25060362 | 0.72 | BTK (0.59) | CHEK1LRRK2BTKKAT2BEGFR | |
| SCHEMBL18518280 | 0.71 | NPC1 (0.39) | NPC1RAB9ASMN1; SMN2S1PR1HPGD | |
| SCHEMBL22243292 | 0.69 | BTK (0.45) | BTKNPC1RAB9ASMN1; SMN2EGFR | |
| SCHEMBL24380910 | 0.69 | BTK (0.61) | BTKEGFR | |
| SCHEMBL23223035 | 0.68 | BTK (0.46) | CHEK1LRRK2BTKKAT2BEGFR |
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 |
|---|---|---|---|---|---|---|---|
| WO-2017026718-A1 | NOVEL 3-(ISOXAZOL-3-YL)-PYRAZOLO[3,4-D]PYRIMIDIN-4-AMINE COMPOUND, WHICH IS RET KINASE INHIBITOR | 한국과학기술연구원 | 2017-02-16 | — | — | WO | disclosed |