Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.53 |
| ▸ | NPC1 | O15118 | 2/20 | 0.53 |
| ▸ | RAB9A | P51151 | 2/20 | 0.53 |
| ▸ | HTT | P42858 | 1/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.49 |
| ▸ | HTR2C | P28335 | 1/20 | 0.47 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.46 |
| ▸ | CPB1 | P15086 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | MMP1 | P03956 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL15914276 | 1.00 | SMN1; SMN2 (0.53) | SMN1; SMN2NPC1RAB9AHTTCYP2C19 | |
| SCHEMBL15914087 | 1.00 | SMN1; SMN2 (0.53) | SMN1; SMN2NPC1RAB9AHTTCYP2C19 | |
| SCHEMBL15914086 | 1.00 | SMN1; SMN2 (0.53) | SMN1; SMN2NPC1RAB9AHTTCYP2C19 | |
| SCHEMBL12501669 | 1.00 | SMN1; SMN2 (0.53) | SMN1; SMN2NPC1RAB9AHTTCYP2C19 | |
| SCHEMBL29333219 | 0.92 | SMN1; SMN2 (0.57) | SMN1; SMN2NPC1RAB9AHTTCYP2C19 | |
| SCHEMBL16655140 | 0.92 | SMN1; SMN2 (0.57) | SMN1; SMN2NPC1RAB9AHTTCYP2C19 | |
| SCHEMBL30994844 | 0.92 | SMN1; SMN2 (0.57) | SMN1; SMN2NPC1RAB9AHTTCYP2C19 | |
| SCHEMBL630153 | 0.90 | SMN1; SMN2 (0.60) | SMN1; SMN2NPC1RAB9AHTTCYP2C19 | |
| SCHEMBL16653786 | 0.89 | SMN1; SMN2 (0.59) | SMN1; SMN2NPC1RAB9AHTTCYP2C19 | |
| SCHEMBL1439624 | 0.89 | SMN1; SMN2 (0.61) | SMN1; SMN2NPC1RAB9AHTTCYP2C19 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2012101064-A1 | N-ACYL PYRIMIDINE BIARYL COMPOUNDS AS PROTEIN KINASE INHIBITORS | NOVARTIS AG (CH) | 2012-08-02 | — | — | WO | disclosed |
| WO-2012101063-A1 | N-ACYL PYRIDINE BIARYL COMPOUNDS AND THEIR USES | NOVARTIS AG (CH) | 2012-08-02 | — | — | WO | disclosed |