Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 7/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | TBXAS1 | P24557 | 5/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.35 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.35 |
| ▸ | SLC1A5 | Q15758 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL17607354 | 0.78 | TBXAS1 (0.42) | CYP3A4TBXAS1 | |
| SCHEMBL17607353 | 0.75 | TBXAS1 (0.40) | CYP3A4TBXAS1RIPK1NAPRTLMNA | |
| SCHEMBL29715367 | 0.69 | LMNA (0.44) | CYP3A4KDM4ETBXAS1RIPK1NAPRT | |
| SCHEMBL5205285 | 0.69 | LMNA (0.44) | CYP3A4KDM4ETBXAS1RIPK1NAPRT | |
| SCHEMBL23092737 | 0.69 | LMNA (0.44) | CYP3A4KDM4ETBXAS1RIPK1NAPRT | |
| SCHEMBL25178693 | 0.68 | CYP3A4 (0.44) | CYP3A4KDM4ETBXAS1RIPK1NAPRT | |
| SCHEMBL5890773 | 0.68 | RIPK1 (0.63) | CYP3A4RIPK1NAPRTLMNARAB9A | |
| SCHEMBL17607360 | 0.67 | KDM4E (0.46) | CYP3A4KDM4ETBXAS1NAPRTLMNA | |
| SCHEMBL17607359 | 0.67 | KDM4E (0.46) | CYP3A4KDM4ETBXAS1NAPRTLMNA | |
| SCHEMBL7332333 | 0.67 | RIPK1 (0.51) | CYP3A4RIPK1NAPRTLMNARAB9A |
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-2016042280-A1 | CONJUGATES OF AMINO ACID-PYRIDINE/PYRIDINIUM AND USES THEREOF AS BIOCIDAL AGENTS | Université de Nice Sophia Antipolis (FR) | 2016-03-24 | — | — | WO | disclosed |