Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 4/20 | 0.51 |
| ▸ | NPC1 | O15118 | 2/20 | 0.43 |
| ▸ | TP53 | P04637 | 2/20 | 0.43 |
| ▸ | RAB9A | P51151 | 2/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | PIM1 | P11309 | 1/20 | 0.43 |
| ▸ | PIM2 | Q9P1W9 | 1/20 | 0.43 |
| ▸ | GPR55 | Q9Y2T6 | 5/20 | 0.41 |
| ▸ | PKM | P14618 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.38 |
| ▸ | GRM5 | P41594 | 1/20 | 0.38 |
| ▸ | DEGS1 | O15121 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL3142922 | 0.77 | CYP2A6 (0.51) | CYP2A6NPC1TP53RAB9ASMN1; SMN2 | |
| Hydrochloric Acid SCHEMBL3142386 | 0.76 | CYP2A6 (0.50) | CYP2A6NPC1TP53RAB9ASMN1; SMN2 | |
| SCHEMBL4902879 | 0.73 | KARS1 (0.52) | CYP2A6NPC1TP53RAB9ASMN1; SMN2 | |
| SCHEMBL28679939 | 0.71 | CYP2A6 (0.68) | CYP2A6NPC1TP53RAB9ASMN1; SMN2 | |
| SCHEMBL12068486 | 0.71 | CYP2A6 (0.79) | CYP2A6NPC1TP53RAB9ASMN1; SMN2 | |
| SCHEMBL3509967 | 0.71 | CYP2A6 (0.85) | CYP2A6NPC1TP53RAB9ASMN1; SMN2 | |
| SCHEMBL14297248 | 0.70 | CYP2A6 (0.66) | CYP2A6NPC1TP53RAB9ASMN1; SMN2 | |
| [2,3'']Bipyridinyl SCHEMBL998601 | 0.70 | CYP2A6 (1.00) | CYP2A6NPC1TP53RAB9ASMN1; SMN2 | |
| [2,3'']Bipyridinyl SCHEMBL29360744 | 0.70 | CYP2A6 (1.00) | CYP2A6NPC1TP53RAB9ASMN1; SMN2 | |
| [2,3'']Bipyridinyl SCHEMBL29486847 | 0.70 | CYP2A6 (1.00) | CYP2A6NPC1TP53RAB9ASMN1; SMN2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1742935-B1 | POLYCYCLIC PYRAZINES AS POTASSIUM ION CHANNEL MODULATORS | ICAGEN INC (US) | 2010-02-24 | — | — | EP | claimed |