Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 5/20 | 0.52 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.51 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.51 |
| ▸ | THRB | P10828 | 1/20 | 0.51 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.49 |
| ▸ | EGFR | P00533 | 2/20 | 0.49 |
| ▸ | PLOD2 | O00469 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.44 |
| ▸ | MEN1 | O00255 | 3/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.44 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.43 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.43 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.43 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL28115969 | 0.81 | PTGS2 (0.57) | PTGS2HDAC1HDAC6THRBPTGS1 | |
| SCHEMBL28116378 | 0.78 | PTGS2 (0.55) | PTGS2HDAC1HDAC6THRBPTGS1 | |
| SCHEMBL28816391 | 0.77 | PTGS2 (0.45) | PTGS2HDAC1HDAC6THRBPTGS1 | |
| SCHEMBL30437125 | 0.75 | PTGS2 (0.57) | PTGS2HDAC1HDAC6THRBPTGS1 | |
| SCHEMBL28116024 | 0.73 | ALDH1A1 (0.46) | PTGS2HDAC1HDAC6THRBPTGS1 | |
| SCHEMBL11864560 | 0.72 | HDAC1 (0.66) | PTGS2HDAC1HDAC6THRBPTGS1 | |
| SCHEMBL1820805 | 0.72 | HDAC1 (0.66) | PTGS2HDAC1HDAC6THRBPTGS1 | |
| Nicotinic Acid Hydrazide SCHEMBL258390 | 0.71 | HDAC1 (0.69) | HDAC1HDAC6THRBPLOD2LMNA | |
| Nicotinic Acid Hydrazide SCHEMBL29648965 | 0.71 | HDAC1 (0.69) | HDAC1HDAC6THRBPLOD2LMNA | |
| SCHEMBL10894691 | 0.71 | LMNA (0.65) | HDAC1HDAC6THRBLMNAHIF1A |
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 |