Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | XDH | P47989 | 1/20 | 0.39 |
| ▸ | TXNRD1 | Q16881 | 1/20 | 0.39 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.34 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.34 |
| ▸ | NLRP3 | Q96P20 | 3/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | DAO | P14920 | 1/20 | 0.32 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.32 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.32 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.32 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.32 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.32 |
| ▸ | CDK2 | P24941 | 1/20 | 0.32 |
| ▸ | CCNA1 | P78396 | 1/20 | 0.32 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.32 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL7701726 | 0.76 | NLRP3 (0.33) | NLRP3ALDH1A1MAPTPOLB | |
| SCHEMBL29364563 | 0.75 | KDM4E (0.40) | NLRP3ALDH1A1CYP1A2KDM4ESMN1; SMN2 | |
| SCHEMBL510583 | 0.75 | KDM4E (0.40) | NLRP3ALDH1A1CYP1A2KDM4ESMN1; SMN2 | |
| SCHEMBL20061662 | 0.72 | ALDH1A1 (0.38) | GABRA1GABRA5NLRP3ALDH1A1CYP1A2 | |
| SCHEMBL9474835 | 0.72 | KDM4E (0.50) | NLRP3ALDH1A1CYP1A2KDM4ESMN1; SMN2 | |
| SCHEMBL4324227 | 0.72 | HRH4 (0.41) | NLRP3ALDH1A1CYP1A2KDM4ESMN1; SMN2 | |
| SCHEMBL18462726 | 0.72 | KDM4E (0.38) | NLRP3ALDH1A1CYP1A2KDM4ESMN1; SMN2 | |
| SCHEMBL4685179 | 0.72 | KDM4E (0.38) | NLRP3ALDH1A1CYP1A2KDM4ESMN1; SMN2 | |
| SCHEMBL30638522 | 0.72 | KDM4E (0.50) | NLRP3ALDH1A1CYP1A2KDM4ESMN1; SMN2 | |
| SCHEMBL4328460 | 0.72 | HRH4 (0.41) | NLRP3ALDH1A1CYP1A2KDM4ESMN1; 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-2002090328-A1 | THE PREPARATION OF SUBSTITUTED PYRIDINES UTILIZING NITRIC AND AN ANHYDRIDE | REILLY INDUSTRIES, INC. (US) | 2002-11-14 | — | — | WO | disclosed |