Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ATM | Q13315 | 1/20 | 0.43 |
| ▸ | MGLL | Q99685 | 1/20 | 0.39 |
| ▸ | BCHE | P06276 | 1/20 | 0.39 |
| ▸ | ACHE | P22303 | 3/20 | 0.39 |
| ▸ | EPHX1 | P07099 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | MC4R | P32245 | 1/20 | 0.39 |
| ▸ | NCEH1 | Q6PIU2 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL6419339 | 0.99 | ATM (0.42) | ATMMGLLBCHEACHEEPHX1 | |
| SCHEMBL1457507 | 0.89 | MEN1 (0.42) | ATMEPHX1ALDH1A1 | |
| Hydrochloric Acid SCHEMBL1457514 | 0.88 | MEN1 (0.41) | ATMEPHX1ALDH1A1 | |
| SCHEMBL1457142 | 0.86 | EPHX2 (0.40) | NPC1RAB9A | |
| SCHEMBL1457414 | 0.86 | TACR1 (0.41) | MC4R | |
| Trifluoroacetic Acid SCHEMBL1457747 | 0.85 | SMN1; SMN2 (0.38) | ATMALDH1A1 | |
| SCHEMBL6410103 | 0.83 | CYP2D6 (0.42) | BCHEACHEALDH1A1 | |
| SCHEMBL1457277 | 0.82 | ALDH1A1 (0.49) | ATMALDH1A1 | |
| SCHEMBL1457735 | 0.81 | ALDH1A1 (0.41) | ALDH1A1 | |
| SCHEMBL1457502 | 0.81 | MAPT (0.37) | ALDH1A1HTTNPC1RAB9A |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1401841-B1 | SUBSTITUTED 1-OXA-2,8-DIAZA-SPIRO 4,5]DEC-2-ENE DERIVATIVES AS MEDICAMENTS FOR THE TREATMENT OF PAIN | GRUENENTHAL GMBH (DE) | 2005-08-24 | — | — | EP | disclosed |
| EP-1401841-A1 | SUBSTITUTED 1-OXA-2,8-DIAZA-SPIRO 4,5]DEC-2-ENE DERIVATIVES AS MEDICAMENTS FOR THE TREATMENT OF PAIN | Grünenthal GmbH (DE) | 2004-03-31 | — | — | EP | disclosed |
| WO-2003000699-A1 | SUBSTITUTED 1-OXA-2,8-DIAZA-SPIRO[4,5]DEC-2-ENE DERIVATIVES AS MEDICAMENTS FOR THE TREATMENT OF PAIN | Grünenthal GmbH (DE) | 2003-01-03 | — | — | WO | disclosed |