Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EPHX1 | P07099 | 1/20 | 0.44 |
| ▸ | ACHE | P22303 | 14/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | ATM | Q13315 | 1/20 | 0.40 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 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 | |
|---|---|---|---|---|
| SCHEMBL5774552 | 0.88 | EPHX1 (0.43) | EPHX1ACHEALDH1A1POLBATM | |
| SCHEMBL10871871 | 0.82 | NPC1 (0.39) | EPHX1ACHEALDH1A1POLBATM | |
| SCHEMBL2486965 | 0.81 | EPHX1 (0.46) | EPHX1ACHEALDH1A1POLBATM | |
| SCHEMBL11525795 | 0.80 | EPHX1 (0.48) | EPHX1ACHEALDH1A1POLBATM | |
| SCHEMBL290981 | 0.79 | TDP1 (0.50) | ALDH1A1POLBHPGDTSHR | |
| SCHEMBL2487393 | 0.79 | EPHX1 (0.47) | EPHX1ACHEALDH1A1POLBATM | |
| Water SCHEMBL2946569 | 0.78 | TDP1 (0.49) | ALDH1A1POLBHPGDTSHR | |
| SCHEMBL5699570 | 0.77 | GAA (0.49) | ALDH1A1POLBTSHR | |
| SCHEMBL7368744 | 0.76 | EPHX1 (0.44) | EPHX1ACHEALDH1A1POLBATM | |
| SCHEMBL5492611 | 0.76 | POLB (0.46) | EPHX1ACHEALDH1A1POLBATM |
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 |