Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RIPK1 | Q13546 | 2/20 | 0.50 |
| ▸ | NPC1 | O15118 | 2/20 | 0.49 |
| ▸ | RAB9A | P51151 | 2/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.45 |
| ▸ | MEN1 | O00255 | 2/20 | 0.45 |
| ▸ | HTT | P42858 | 1/20 | 0.45 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.45 |
| ▸ | CA12 | O43570 | 1/20 | 0.44 |
| ▸ | CA9 | Q16790 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | RECQL | P46063 | 1/20 | 0.43 |
| ▸ | AKT1 | P31749 | 1/20 | 0.42 |
| ▸ | BCHE | P06276 | 1/20 | 0.42 |
| ▸ | ACHE | P22303 | 1/20 | 0.42 |
| ▸ | RXRA | P19793 | 1/20 | 0.42 |
| ▸ | RXRB | P28702 | 1/20 | 0.42 |
| ▸ | RXRG | P48443 | 1/20 | 0.42 |
| ▸ | TSPO | P30536 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL4730794 | 0.84 | RIPK1 (0.53) | RIPK1NPC1RAB9AKMT2AMEN1 | |
| SCHEMBL19040090 | 0.81 | CYP2C19 (0.45) | RIPK1NPC1RAB9ACA12CA9 | |
| SCHEMBL16903455 | 0.79 | ALOX5 (0.52) | RIPK1NPC1RAB9AKMT2AL3MBTL1 | |
| SCHEMBL16932333 | 0.79 | MME (0.52) | RIPK1NPC1RAB9AKMT2AMEN1 | |
| SCHEMBL6053233 | 0.77 | CYP2C19 (0.45) | RIPK1NPC1RAB9AKMT2AMEN1 | |
| SCHEMBL21070970 | 0.77 | CYP2C19 (0.45) | RIPK1NPC1RAB9AKMT2AMEN1 | |
| SCHEMBL2518042 | 0.77 | ALDH1A1 (0.46) | RIPK1NPC1RAB9AKMT2AMEN1 | |
| SCHEMBL29377889 | 0.77 | TSHR (0.50) | RIPK1KMT2AMEN1HTTL3MBTL1 | |
| SCHEMBL9324516 | 0.76 | NPC1 (0.46) | RIPK1NPC1RAB9AKMT2AMEN1 | |
| Hydrochloric Acid SCHEMBL10453852 | 0.76 | RIPK1 (0.41) | RIPK1NPC1RAB9AKMT2AMEN1 |
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-2558457-A1 | ARYLETHYNYL DERIVATIVES | F. Hoffmann-La Roche AG (CH) | 2013-02-20 | — | — | EP | disclosed |
| WO-2011128279-A1 | ARYLETHYNYL DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2011-10-20 | — | — | WO | disclosed |