Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNA7 | P36544 | 5/20 | 0.53 |
| ▸ | CHRNB2 | P17787 | 4/20 | 0.53 |
| ▸ | CHRNB4 | P30926 | 4/20 | 0.53 |
| ▸ | CHRNA3 | P32297 | 4/20 | 0.53 |
| ▸ | CHRNA4 | P43681 | 4/20 | 0.53 |
| ▸ | KCNA3 | P22001 | 1/20 | 0.52 |
| ▸ | LTA4H | P09960 | 3/20 | 0.50 |
| ▸ | HTR1B | P28222 | 2/20 | 0.47 |
| ▸ | HTR1D | P28221 | 1/20 | 0.47 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.47 |
| ▸ | RECQL | P46063 | 1/20 | 0.47 |
| ▸ | PKM | P14618 | 1/20 | 0.43 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.42 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.42 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.42 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.42 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.42 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.42 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL919503 | 0.82 | CHRNB2 (0.35) | CHRNA7CHRNB2CHRNB4CHRNA3CHRNA4 | |
| SCHEMBL14085300 | 0.79 | KCNH2 (0.53) | CHRNA7CHRNB2CHRNB4CHRNA3CHRNA4 | |
| SCHEMBL920060 | 0.79 | CHRNB2 (0.34) | CHRNA7CHRNB2CHRNB4CHRNA3CHRNA4 | |
| SCHEMBL3661397 | 0.77 | APP (0.48) | DRD2DRD4DRD3 | |
| SCHEMBL3766454 | 0.77 | MAOB (0.43) | TAAR1ALDH1A1 | |
| SCHEMBL9799937 | 0.74 | NR5A1 (0.51) | CHRNA7CHRNB2CHRNB4CHRNA3CHRNA4 | |
| Benzene SCHEMBL27683055 | 0.73 | LTA4H (0.68) | CHRNA7CHRNB2CHRNB4CHRNA3CHRNA4 | |
| SCHEMBL14134168 | 0.73 | LTA4H (0.68) | CHRNA7CHRNB2CHRNB4CHRNA3CHRNA4 | |
| SCHEMBL144684 | 0.73 | LTA4H (0.68) | CHRNA7CHRNB2CHRNB4CHRNA3CHRNA4 | |
| SCHEMBL921829 | 0.73 | LTA4H (0.35) | CHRNA7CHRNB2CHRNB4CHRNA3CHRNA4 |
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 |
|---|---|---|---|---|---|---|---|
| US-5866731-A | CATALYST WHICH IS AN ORGANIC COMPOUND HAVING AT LEAST TWO POLAR GROUPS IN THE MOLECULE EACH CONTAINING A HETEROATOM HAVING AN UNSHARED ELECTRON PAIR, AND HAVING NO ALIPHATIC CARBON-CARBON UNSATURATED BOND. | NIPPON ZEON CO., LTD. (JP) | 1999-02-02 | — | — | US | disclosed |
| EP-0795530-A1 | PROCESS FOR PRODUCING HALOGENATED ORGANIC COMPOUNDS | NIPPON ZEON CO., LTD. (JP) | 1997-09-17 | — | — | EP | disclosed |