Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.44 |
| ▸ | MAPT | P10636 | 4/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.43 |
| ▸ | MEN1 | O00255 | 3/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.43 |
| ▸ | LMNA | P02545 | 2/20 | 0.43 |
| ▸ | HTT | P42858 | 2/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | P2RX4 | Q99571 | 1/20 | 0.42 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.42 |
| ▸ | P2RX2 | Q9UBL9 | 1/20 | 0.42 |
| ▸ | CHRNB4 | P30926 | 4/20 | 0.41 |
| ▸ | CHRNA3 | P32297 | 4/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | CHRNB2 | P17787 | 2/20 | 0.39 |
| ▸ | CHRNA4 | P43681 | 2/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL15544368 | 0.91 | ALDH1A1 (0.44) | ALDH1A1MAPTL3MBTL1KMT2AMEN1 | |
| SCHEMBL15544668 | 0.81 | ALDH1A1 (0.43) | ALDH1A1MAPTKMT2AMEN1LMNA | |
| SCHEMBL15545277 | 0.77 | SMN1; SMN2 (0.47) | MAPTKMT2AMEN1SMN1; SMN2KDM4E | |
| SCHEMBL15545467 | 0.77 | KCNH2 (0.41) | ALDH1A1MAPTKDM4EP2RX7RAB9A | |
| SCHEMBL15545602 | 0.75 | ALDH1A1 (0.35) | ALDH1A1LMNAHTTSMN1; SMN2P2RX7 | |
| SCHEMBL15544852 | 0.74 | LMNA (0.43) | ALDH1A1KMT2AMEN1LMNASMN1; SMN2 | |
| SCHEMBL15544370 | 0.73 | CNR2 (0.41) | ALDH1A1LMNAHTTSMN1; SMN2P2RX7 | |
| SCHEMBL15545052 | 0.73 | P2RX4 (0.39) | ALDH1A1MAPTKMT2AMEN1TDP1 | |
| SCHEMBL5803808 | 0.71 | TSHR (0.42) | ALDH1A1KMT2AMEN1CHRNB4CHRNA3 | |
| SCHEMBL27492634 | 0.69 | CHRNB4 (0.49) | ALDH1A1MAPTL3MBTL1KMT2AMEN1 |
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-2870139-A1 | NOVEL ADAMANTYL DERIVATIVES AS CANNABINOID RECEPTOR 2 AGONISTS | F. Hoffmann-La Roche AG (CH) | 2015-05-13 | — | — | EP | disclosed |
| WO-2014005968-A1 | NOVEL ADAMANTYL DERIVATIVES AS CANNABINOID RECEPTOR 2 AGONISTS | F. HOFFMANN-LA ROCHE AG (CH) | 2014-01-09 | — | — | WO | disclosed |