Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNB2 | P17787 | 1/20 | 0.40 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | MEN1 | O00255 | 2/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.34 |
| ▸ | MAPT | P10636 | 3/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 2/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | F10 | P00742 | 1/20 | 0.33 |
| ▸ | F11 | P03951 | 1/20 | 0.33 |
| ▸ | F7 | P08709 | 1/20 | 0.33 |
| ▸ | SLC10A2 | Q12908 | 1/20 | 0.33 |
| ▸ | AR | P10275 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL2534306 | 0.86 | CHRNB2 (0.38) | CHRNB2CHRNA4SMN1; SMN2ALDH1A1MEN1 | |
| SCHEMBL2533556 | 0.83 | ALDH1A1 (0.41) | CHRNB2CHRNA4SMN1; SMN2ALDH1A1MEN1 | |
| SCHEMBL2532907 | 0.83 | AR (0.44) | SMN1; SMN2ALDH1A1MEN1KMT2AKDM4E | |
| SCHEMBL2530168 | 0.83 | ALDH1A1 (0.43) | CHRNB2CHRNA4SMN1; SMN2ALDH1A1MEN1 | |
| SCHEMBL2533076 | 0.83 | MEN1 (0.37) | CHRNB2CHRNA4SMN1; SMN2ALDH1A1MEN1 | |
| SCHEMBL2533058 | 0.82 | MEN1 (0.40) | CHRNB2CHRNA4SMN1; SMN2ALDH1A1MEN1 | |
| SCHEMBL2531587 | 0.81 | ABL1 (0.40) | SMN1; SMN2ALDH1A1MEN1KMT2AMAPT | |
| SCHEMBL2535580 | 0.81 | ROCK2 (0.36) | SMN1; SMN2ALDH1A1MEN1KMT2ATSHR | |
| SCHEMBL2535027 | 0.81 | ALDH1A1 (0.44) | SMN1; SMN2ALDH1A1MEN1KMT2AKDM4E | |
| SCHEMBL2533669 | 0.81 | ALDH1A1 (0.41) | CHRNB2CHRNA4SMN1; SMN2ALDH1A1MEN1 |
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-2558449-A1 | NOVEL 3,3-DIMETHYL TETRAHYDROQUINOLINE DERIVATIVES | F. Hoffmann-La Roche AG (CH) | 2013-02-20 | — | — | EP | disclosed |
| WO-2011128251-A1 | NOVEL 3,3-DIMETHYL TETRAHYDROQUINOLINE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2011-10-20 | — | — | WO | disclosed |