Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 2/20 | 0.58 |
| ▸ | IDO1 | P14902 | 1/20 | 0.50 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.49 |
| ▸ | TP53 | P04637 | 2/20 | 0.49 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.49 |
| ▸ | PKM | P14618 | 1/20 | 0.49 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.46 |
| ▸ | CA1 | P00915 | 1/20 | 0.45 |
| ▸ | CA2 | P00918 | 1/20 | 0.45 |
| ▸ | CMA1 | P23946 | 1/20 | 0.45 |
| ▸ | POLB | P06746 | 1/20 | 0.45 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.45 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL15574186 | 0.90 | CYP2A6 (0.54) | CYP2A6IDO1MTNR1ASMN1; SMN2TP53 | |
| SCHEMBL1393298 | 0.85 | CYP2A6 (0.59) | CYP2A6IDO1MTNR1ASMN1; SMN2TP53 | |
| SCHEMBL8905373 | 0.83 | CYP2A6 (0.58) | CYP2A6IDO1MTNR1ASMN1; SMN2TP53 | |
| SCHEMBL30138881 | 0.83 | CYP2A6 (0.58) | CYP2A6IDO1MTNR1ASMN1; SMN2TP53 | |
| SCHEMBL1393034 | 0.83 | CYP2A6 (0.58) | CYP2A6IDO1MTNR1ASMN1; SMN2TP53 | |
| SCHEMBL12174999 | 0.83 | CYP2A6 (0.61) | CYP2A6SMN1; SMN2TP53RXFP1PKM | |
| SCHEMBL6999394 | 0.83 | CYP2A6 (0.53) | CYP2A6IDO1MTNR1ASMN1; SMN2TP53 | |
| SCHEMBL8786755 | 0.80 | CYP4F2 (0.60) | CYP2A6IDO1MTNR1ASMN1; SMN2TP53 | |
| SCHEMBL28693243 | 0.80 | CYP2A6 (0.53) | CYP2A6IDO1MTNR1ASMN1; SMN2TP53 | |
| SCHEMBL760833 | 0.80 | MTNR1A (0.67) | CYP2A6IDO1MTNR1ASMN1; SMN2TP53 |
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-2010053388-A1 | NEW 4,6-DISUBSTITUTED 2-(4-METHYLPIPERAZIN-1-YL)PYRIDINE DERIVATIVES, A PROCESS FOR THEIR PREPARATION, PHARMACEUTICAL COMPOSITION CONTAINING THESE COMPOUNDS, THEIR USE, A METHOD FOR MODULATING MONOAMINERGIC RECEPTOR ACTIVITY AND A MONOAMINERGIC RECEPTOR MODULATING AGENT | INSTYTUT FARMAKOLOGII POLSKIEJ AKADEMII NAUK (PL) | 2010-05-14 | — | — | WO | disclosed |