Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 5/20 | 0.37 |
| ▸ | CRHR1 | P34998 | 1/20 | 0.35 |
| ▸ | GRM5 | P41594 | 1/20 | 0.35 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.35 |
| ▸ | CCR1 | P32246 | 1/20 | 0.35 |
| ▸ | CCR5 | P51681 | 1/20 | 0.35 |
| ▸ | CCR8 | P51685 | 1/20 | 0.35 |
| ▸ | ESR2 | Q92731 | 4/20 | 0.34 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.34 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.34 |
| ▸ | RXFP1 | Q9HBX9 | 2/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | PKM | P14618 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL3664991 | 0.89 | MDM2 (0.41) | GRM5CYP2A6CCR1CCR5CCR8 | |
| SCHEMBL3661014 | 0.85 | NPSR1 (0.33) | ESR1NPSR1RXFP1ALDH1A1NPC1 | |
| SCHEMBL3663765 | 0.78 | CCR1 (0.40) | GRM5CYP2A6CCR1CCR5CCR8 | |
| SCHEMBL3663615 | 0.77 | CCR1 (0.37) | GRM5CYP2A6CCR1CCR5CCR8 | |
| SCHEMBL3664548 | 0.76 | HRH1 (0.41) | GRM5CYP2A6CCR1CCR5CCR8 | |
| SCHEMBL3663869 | 0.75 | GRM5 (0.36) | GRM5CYP2A6CCR1CCR5CCR8 | |
| SCHEMBL4183866 | 0.75 | CYP2A6 (0.36) | GRM5CYP2A6CCR1CCR5CCR8 | |
| SCHEMBL3661769 | 0.74 | KDM4E (0.37) | GRM5CYP2A6CCR1CCR5CCR8 | |
| SCHEMBL3667875 | 0.74 | GPR39 (0.37) | GRM5CYP2A6CCR1CCR5CCR8 | |
| SCHEMBL3659080 | 0.74 | CYP1A2 (0.45) | GRM5CYP2A6CCR1CCR5CCR8 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2242742-A2 | ORGANIC COMPOUNDS | Novartis AG (CH) | 2010-10-27 | — | — | EP | disclosed |
| WO-2009087212-A2 | PYRIDINE DERIVATIVES | NOVARTIS AG (CH) | 2009-07-16 | — | — | WO | disclosed |