Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HPGD | P15428 | 2/20 | 0.53 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.44 |
| ▸ | TP53 | P04637 | 1/20 | 0.43 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.41 |
| ▸ | RELA | Q04206 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | ATM | Q13315 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL6385643 | 0.87 | — | — | |
| SCHEMBL27934108 | 0.80 | HPGD (0.57) | HPGDHSD11B1TP53EPHX1ALDH1A1 | |
| SCHEMBL11670009 | 0.80 | HPGD (0.57) | HPGDHSD11B1TP53EPHX1ALDH1A1 | |
| Cyclohexane Propionic Acid SCHEMBL28185143 | 0.79 | HPGD (0.52) | HPGDHSD11B1TP53EPHX1ALDH1A1 | |
| SCHEMBL11024174 | 0.78 | HPGD (0.55) | HPGDHSD11B1TP53EPHX1ALDH1A1 | |
| SCHEMBL10586022 | 0.78 | HPGD (0.55) | HPGDHSD11B1TP53EPHX1ALDH1A1 | |
| Cyclohexane Propionic Acid SCHEMBL391087 | 0.78 | HPGD (0.55) | HPGDHSD11B1TP53EPHX1ALDH1A1 | |
| SCHEMBL7028763 | 0.78 | HPGD (0.55) | HPGDHSD11B1TP53EPHX1ALDH1A1 | |
| SCHEMBL9130865 | 0.78 | HPGD (0.55) | HPGDHSD11B1TP53EPHX1ALDH1A1 | |
| Cyclohexane Propionic Acid SCHEMBL18344239 | 0.78 | HPGD (0.55) | HPGDHSD11B1TP53EPHX1ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-101395154-B | 8-azabicyclo [3.2.1] octane compounds as mu opioid receptor antagonists | THERAVANCE INC | 2011-01-19 | — | — | CN | disclosed |
| CN-101395154-A | 8-azabicyclo [3.2.1] octane compounds as mu opioid receptor antagonists | THERAVANCE INC (US) | 2009-03-25 | — | — | CN | disclosed |