Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.44 |
| ▸ | TBXAS1 | P24557 | 9/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.40 |
| ▸ | RECQL | P46063 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | VNN1 | O95497 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | PKM | P14618 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | USP2 | O75604 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL17607360 | 1.00 | KDM4E (0.46) | KDM4ENAPRTTBXAS1CYP1A2CYP3A4 | |
| SCHEMBL15758205 | 0.72 | TBXAS1 (0.57) | KDM4ENAPRTTBXAS1NPC1RAB9A | |
| SCHEMBL15758203 | 0.72 | TBXAS1 (0.57) | KDM4ENAPRTTBXAS1NPC1RAB9A | |
| SCHEMBL27041606 | 0.72 | KDM4E (0.53) | KDM4ENAPRTTBXAS1CYP1A2CYP3A4 | |
| SCHEMBL27041597 | 0.72 | KDM4E (0.53) | KDM4ENAPRTTBXAS1CYP1A2CYP3A4 | |
| SCHEMBL17607361 | 0.70 | NPC1 (0.49) | KDM4ENAPRTTBXAS1CYP1A2CYP3A4 | |
| SCHEMBL28017048 | 0.70 | NAPRT (0.47) | KDM4ENAPRTCYP1A2CYP3A4CYP2C9 | |
| SCHEMBL10719514 | 0.69 | TBXAS1 (0.54) | KDM4ENAPRTTBXAS1NPC1RAB9A | |
| SCHEMBL6158142 | 0.68 | CYP1A2 (0.48) | NAPRTCYP1A2 | |
| SCHEMBL27533915 | 0.68 | NAPRT (0.48) | NAPRTCYP1A2CYP3A4CYP2C9RECQL |
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 |