Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EPHX1 | P07099 | 1/20 | 0.44 |
| ▸ | ACHE | P22303 | 13/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | NPC1 | O15118 | 2/20 | 0.41 |
| ▸ | RAB9A | P51151 | 2/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | ATM | Q13315 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL8469192 | 0.79 | ALDH1A1 (0.54) | ALDH1A1HPGDL3MBTL1ATM | |
| SCHEMBL1455524 | 0.79 | ALDH1A1 (0.54) | ALDH1A1HPGDL3MBTL1ATM | |
| SCHEMBL13256196 | 0.79 | ALDH1A1 (0.54) | ALDH1A1HPGDL3MBTL1ATM | |
| SCHEMBL8711739 | 0.79 | ATM (0.62) | EPHX1ACHEALDH1A1NPC1RAB9A | |
| SCHEMBL290979 | 0.78 | SMN1; SMN2 (0.48) | ALDH1A1NPC1RAB9ASMN1; SMN2HPGD | |
| SCHEMBL12068197 | 0.78 | EPHX1 (0.50) | EPHX1ACHEALDH1A1NPC1RAB9A | |
| SCHEMBL7256932 | 0.78 | ALDH1A1 (0.59) | EPHX1ACHEALDH1A1NPC1RAB9A | |
| Water SCHEMBL2946565 | 0.77 | SMN1; SMN2 (0.47) | ALDH1A1NPC1RAB9ASMN1; SMN2HPGD | |
| SCHEMBL11525727 | 0.77 | EPHX1 (0.48) | EPHX1ACHEALDH1A1NPC1RAB9A | |
| SCHEMBL3664894 | 0.77 | NAAA (0.52) | EPHX1ACHEALDH1A1NPC1RAB9A |
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-2001876-A2 | 8-AZABICYCLOÝ3.2.1¨OCTANE COMPOUNDS AS MU OPIOID RECEPTOR ANTAGONISTS | Theravance, Inc. (US) | 2008-12-17 | — | — | EP | disclosed |
| WO-2007103187-A2 | 8-AZABICYCLO[3.2.1]OCTANE COMPOUNDS AS MU OPIOID RECEPTOR ANTAGONISTS | THERAVANCE, INC. (US) | 2007-09-13 | — | — | WO | disclosed |