Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AAK1 | Q2M2I8 | 1/20 | 0.38 |
| ▸ | NOTUM | Q6P988 | 8/20 | 0.38 |
| ▸ | P2RX7 | Q99572 | 3/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | KMO | O15229 | 1/20 | 0.33 |
| ▸ | NOS3 | P29474 | 1/20 | 0.32 |
| ▸ | NOS2 | P35228 | 1/20 | 0.32 |
| ▸ | TDO2 | P48775 | 1/20 | 0.32 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.32 |
| ▸ | EPAS1 | Q99814 | 1/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.31 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.31 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL21719022 | 0.81 | AAK1 (0.34) | AAK1 | |
| SCHEMBL364870 | 0.80 | P2RX7 (0.36) | NOTUMP2RX7KMONOS3NOS2 | |
| SCHEMBL11099450 | 0.77 | AAK1 (0.35) | AAK1CYP1A2CYP3A4ALOX15TSHR | |
| SCHEMBL22056622 | 0.77 | P2RX7 (0.38) | NOTUMP2RX7CYP1A2CYP3A4ALOX15 | |
| SCHEMBL21979063 | 0.77 | P2RX7 (0.38) | NOTUMP2RX7KMONOS3NOS2 | |
| SCHEMBL30901282 | 0.77 | P2RX7 (0.38) | NOTUMP2RX7KMONOS3NOS2 | |
| SCHEMBL20088854 | 0.77 | NOS2 (0.39) | NOTUMP2RX7TSHRKMONOS3 | |
| SCHEMBL3100708 | 0.77 | NOS3 (0.35) | NOTUMP2RX7KMONOS3NOS2 | |
| SCHEMBL6971787 | 0.77 | P2RX7 (0.34) | NOTUMP2RX7KMONOS3NOS2 | |
| SCHEMBL31097846 | 0.77 | NOS2 (0.39) | NOTUMP2RX7TSHRKMONOS3 |
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 |
|---|---|---|---|---|---|---|---|
| US-6699993-B1 | TREATING 2-CHLORO-(OR FLUORO-)PYRIDINE WITH TERTIARY AMINE ACTIVATOR AND CYANIDE OF HYDROGEN, AMMONIUM, SODIUM, POTASSIUM, OR ALKALINE EARTH METAL; CYANATION | BAYER CROPSCIENCE GMBH (DE) | 2004-03-02 | — | — | US | disclosed |