Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.37 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.37 |
| ▸ | NOS3 | P29474 | 1/20 | 0.36 |
| ▸ | NOS1 | P29475 | 1/20 | 0.36 |
| ▸ | NOS2 | P35228 | 1/20 | 0.36 |
| ▸ | PIM1 | P11309 | 1/20 | 0.36 |
| ▸ | CSNK2A2 | P19784 | 1/20 | 0.36 |
| ▸ | CSNK2B | P67870 | 1/20 | 0.36 |
| ▸ | PIM3 | Q86V86 | 1/20 | 0.36 |
| ▸ | PIM2 | Q9P1W9 | 1/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 4/20 | 0.36 |
| ▸ | IDO1 | P14902 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL8381589 | 0.79 | CYP2A6 (0.40) | HRH4CYP2A6NOS3NOS1NOS2 | |
| SCHEMBL24957820 | 0.74 | APP (0.40) | HRH4CYP2A6NOS3NOS1NOS2 | |
| SCHEMBL548410 | 0.73 | CYP2A6 (0.50) | CYP2A6NOS3NOS1NOS2PIM1 | |
| SCHEMBL8386239 | 0.72 | CYP2A6 (0.37) | CYP2A6NOS3NOS1NOS2PIM1 | |
| SCHEMBL8421944 | 0.72 | LOXL2 (0.38) | CYP2A6NOS3NOS1NOS2PIM1 | |
| SCHEMBL16906004 | 0.68 | ALDH1A1 (0.48) | CYP2A6NOS3NOS1NOS2CSNK2A2 | |
| SCHEMBL10163685 | 0.68 | CDK9 (0.46) | CYP2A6NOS3NOS1NOS2IDO1 | |
| SCHEMBL20282452 | 0.67 | PGR (0.47) | CYP2A6NOS3NOS1NOS2PIM1 | |
| SCHEMBL11554110 | 0.67 | CYP2A6 (0.44) | CYP2A6NOS3NOS1NOS2PIM1 | |
| SCHEMBL13564574 | 0.67 | CYP2A6 (0.44) | HRH4CYP2A6NOS3NOS1NOS2 |
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-0906282-A1 | HETEROCYCLYLMETHYLAMINO DERIVATIVES OF CYCLOBUTENE-3,4-DIONES AS POTASSIUM CHANNEL MODULATORS | AMERICAN HOME PRODUCTS CORPORATION (US) | 1999-04-07 | — | — | EP | disclosed |
| WO-1997048682-A1 | HETEROCYCLYLMETHYLAMINO DERIVATIVES OF CYCLOBUTENE-3,4-DIONES AS POTASSIUM CHANNEL MODULATORS | AMERICAN HOME PRODUCTS CORPORATION (US) | 1997-12-24 | — | — | WO | disclosed |