Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CPA1 | P15085 | 6/20 | 0.45 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | MME | P08473 | 4/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | ACE | P12821 | 2/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | ECE1 | P42892 | 1/20 | 0.39 |
| ▸ | BLM | P54132 | 1/20 | 0.39 |
| ▸ | NPEPPS | P55786 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL11856157 | 0.82 | CPA1 (0.51) | CPA1CYP1A2MEN1KMT2A | |
| SCHEMBL2555562 | 0.79 | CPA1 (0.59) | CPA1CYP1A2HSD17B10 | |
| SCHEMBL11081087 | 0.77 | CPA1 (0.53) | CPA1NPC1TP53RAB9ASMN1; SMN2 | |
| SCHEMBL1305447 | 0.76 | CPA1 (0.51) | CPA1NPC1TP53RAB9ASMN1; SMN2 | |
| SCHEMBL28007680 | 0.74 | MDM2 (0.58) | CPA1NPC1TP53RAB9ASMN1; SMN2 | |
| SCHEMBL6948627 | 0.74 | CYP1A2 (0.44) | NPC1RAB9ASMN1; SMN2CYP1A2MEN1 | |
| SCHEMBL27623586 | 0.72 | CPA1 (0.47) | CPA1CYP1A2 | |
| SCHEMBL28210499 | 0.72 | CPA1 (0.47) | CPA1NPC1TP53RAB9ASMN1; SMN2 | |
| SCHEMBL16061774 | 0.70 | MEN1 (0.45) | NPC1TP53RAB9ASMN1; SMN2CYP1A2 | |
| SCHEMBL714764 | 0.68 | CPA1 (0.53) | CPA1NPC1TP53RAB9ASMN1; SMN2 |
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-2011061675-A1 | PROCESS FOR ENANTIOSELECTIVE PREPARATION OF NITROKETONE, AN INTERMEDIATE OF PROTEASE INHIBITORS | PIRAMAL HEALTHCARE LIMITED (IN) | 2011-05-26 | — | — | WO | disclosed |