Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.59 |
| ▸ | POLB | P06746 | 1/20 | 0.59 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.58 |
| ▸ | LMNA | P02545 | 1/20 | 0.58 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.58 |
| ▸ | TSHR | P16473 | 1/20 | 0.58 |
| ▸ | UHRF1 | Q96T88 | 1/20 | 0.46 |
| ▸ | CCNC | P24863 | 2/20 | 0.39 |
| ▸ | CDK8 | P49336 | 2/20 | 0.39 |
| ▸ | PIK3CB | P42338 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | PLAU | P00749 | 1/20 | 0.36 |
| ▸ | PROKR1 | Q8TCW9 | 1/20 | 0.35 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL29211035 | 0.81 | UHRF1 (0.48) | CYP1A2POLBKDM4ELMNACYP3A4 | |
| SCHEMBL30100694 | 0.79 | CCNC (0.50) | LMNAUHRF1CCNCCDK8PIK3CB | |
| SCHEMBL112539 | 0.79 | CCNC (0.50) | LMNAUHRF1CCNCCDK8PIK3CB | |
| SCHEMBL3554899 | 0.79 | PRSS1 (0.50) | UHRF1CCNCCDK8PIK3CBPLAU | |
| SCHEMBL9792766 | 0.78 | CYP1A2 (0.58) | CYP1A2POLBKDM4ELMNACYP3A4 | |
| Hydrochloric Acid SCHEMBL20269638 | 0.78 | PRSS1 (0.48) | UHRF1 | |
| Hydrochloric Acid SCHEMBL5083661 | 0.78 | CCNC (0.49) | LMNAUHRF1CCNCCDK8PIK3CB | |
| SCHEMBL955764 | 0.77 | GABRP (0.59) | CYP1A2POLBKDM4ELMNACYP3A4 | |
| SCHEMBL4003603 | 0.76 | UHRF1 (0.43) | CYP1A2POLBLMNAUHRF1CCNC | |
| SCHEMBL4017420 | 0.76 | UHRF1 (0.43) | CYP1A2POLBKDM4ELMNACYP3A4 |
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-107335058-B | New application of 2, 6-disubstituted pyridine-4-thiocarboxamide | 暨南大学 | 2021-01-08 | — | — | CN | disclosed |
| US-20170010272-A1 | RAPID PHENOTYPE TESTS FOR ANTITUBERCULAR DRUG SENSITIVITY AND RESISTANCE | TRIAD NATIONAL SECURITY, LLC | 2017-01-12 | — | — | US | disclosed |