Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.46 |
| ▸ | NPC1 | O15118 | 3/20 | 0.46 |
| ▸ | RAB9A | P51151 | 3/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.46 |
| ▸ | TP53 | P04637 | 2/20 | 0.46 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.46 |
| ▸ | PTGS2 | P35354 | 5/20 | 0.46 |
| ▸ | EGFR | P00533 | 2/20 | 0.46 |
| ▸ | GAA | P10253 | 2/20 | 0.46 |
| ▸ | THRB | P10828 | 1/20 | 0.45 |
| ▸ | MEN1 | O00255 | 3/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.45 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.45 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.45 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.44 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.42 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL27996515 | 0.80 | ALDH1A1 (0.43) | ALDH1A1NPC1RAB9ASMN1; SMN2TP53 | |
| SCHEMBL30437125 | 0.75 | PTGS2 (0.57) | ALDH1A1NPC1RAB9ASMN1; SMN2NPSR1 | |
| SCHEMBL28115972 | 0.73 | PTGS2 (0.52) | NPC1RAB9ASMN1; SMN2PTGS2EGFR | |
| SCHEMBL9809554 | 0.70 | HDAC1 (0.57) | ALDH1A1NPC1RAB9ASMN1; SMN2TP53 | |
| SCHEMBL29995369 | 0.70 | ECE1 (0.60) | ALDH1A1NPC1RAB9ASMN1; SMN2TP53 | |
| SCHEMBL24267375 | 0.70 | ECE1 (0.60) | ALDH1A1NPC1RAB9ASMN1; SMN2TP53 | |
| SCHEMBL3854614 | 0.70 | KMT2A (0.63) | ALDH1A1NPC1RAB9ASMN1; SMN2TP53 | |
| SCHEMBL1820805 | 0.70 | HDAC1 (0.66) | ALDH1A1PTGS2EGFRTHRBMEN1 | |
| SCHEMBL28115969 | 0.70 | PTGS2 (0.57) | NPC1RAB9ASMN1; SMN2PTGS2EGFR | |
| SCHEMBL5553293 | 0.70 | KMT2A (0.66) | ALDH1A1NPC1RAB9ASMN1; SMN2TP53 |
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 |
|---|---|---|---|---|---|---|---|
| CN-104478798-B | N-aminoalkyl-3-pyridinecarboxamide derivative and application of N-aminoalkyl-3-pyridinecarboxamide derivative in preparation of drugs for treating cardiovascular and cerebrovascular diseases | 武汉华纳联合药业有限公司 | 2017-01-18 | — | — | CN | claimed |
| CN-104478798-B | N-aminoalkyl-3-pyridinecarboxamide derivative and application of N-aminoalkyl-3-pyridinecarboxamide derivative in preparation of drugs for treating cardiovascular and cerebrovascular diseases | 武汉华纳联合药业有限公司 | 2017-01-18 | — | — | CN | disclosed |