Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.41 |
| ▸ | TSHR | P16473 | 3/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.36 |
| ▸ | PKM | P14618 | 1/20 | 0.35 |
| ▸ | ANPEP | P15144 | 1/20 | 0.35 |
| ▸ | ERAP2 | Q6P179 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 3/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | CA1 | P00915 | 2/20 | 0.31 |
| ▸ | CA2 | P00918 | 2/20 | 0.31 |
| ▸ | CA12 | O43570 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL4394406 | 0.85 | ALDH1A1 (0.62) | ALDH1A1TSHRCYP3A4SMN1; SMN2ANPEP | |
| SCHEMBL10045177 | 0.83 | CYP2C19 (0.50) | ALDH1A1TSHRCYP3A4PKMANPEP | |
| SCHEMBL1761193 | 0.83 | ALDH1A1 (0.41) | ALDH1A1TSHRCYP3A4SMN1; SMN2ANPEP | |
| SCHEMBL10045169 | 0.83 | CYP2C19 (0.50) | ALDH1A1TSHRCYP3A4PKMANPEP | |
| SCHEMBL10045097 | 0.80 | ALDH1A1 (0.48) | ALDH1A1TSHRCYP3A4PKMANPEP | |
| SCHEMBL29001373 | 0.79 | ALDH1A1 (0.67) | ALDH1A1TSHRCYP3A4SMN1; SMN2ANPEP | |
| SCHEMBL11663277 | 0.79 | TSHR (0.55) | ALDH1A1TSHRCYP3A4ANPEPERAP2 | |
| SCHEMBL8528177 | 0.78 | ALDH1A1 (0.58) | ALDH1A1TSHRCYP3A4SMN1; SMN2ANPEP | |
| SCHEMBL10045184 | 0.77 | CYP2C19 (0.64) | ALDH1A1TSHRCYP3A4PKMANPEP | |
| SCHEMBL21799824 | 0.77 | CA12 (0.50) | ALDH1A1TSHRCYP3A4SMN1; SMN2PKM |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8518966-B2 | Amidoalkyl-8-azabicyclo[3.2.1]octane compounds as mu opioid receptor antagonists | THERAVANCE, INC. (US) | 2013-08-27 | — | — | US | disclosed |
| EP-2185553-B1 | AMIDOALKYL-8-AZABICYCLO[3.2.1]OCTANE COMPOUNDS AS MU OPIOID RECEPTOR ANTAGONISTS | THERAVANCE INC (US) | 2012-06-27 | — | — | EP | disclosed |
| US-20110124677-A1 | AMIDOALKYL-8-AZABICYCLO[3.2.1]OCTANE COMPOUNDS AS MU OPIOID RECEPTOR ANTAGONISTS | THERAVANCE, INC. (US) | 2011-05-26 | — | — | US | disclosed |
| US-7902221-B2 | Amidoalkyl-8-azabicyclo[3.2.1]octane compounds as mu opioid receptor antagonists | THERAVANCE, INC. (US) | 2011-03-08 | — | — | US | disclosed |
| EP-2185553-A1 | AMIDOALKYL-8-AZABICYCLO[3.2.1]OCTANE COMPOUNDS AS MU OPIOID RECEPTOR ANTAGONISTS | Theravance, Inc. (US) | 2010-05-19 | — | — | EP | disclosed |
| US-20090062335-A1 | Amidoalkyl-8-azabicyclo[3.2.1]octane compounds as mu opioid receptor antagonists | THERAVANCE, INC. | 2009-03-05 | — | — | US | disclosed |
| WO-2009029252-A1 | AMIDOALKYL-8-AZABICYCLO[3.2.1]OCTANE COMPOUNDS AS MU OPIOID RECEPTOR ANTAGONISTS | THERAVANCE, INC. (US) | 2009-03-05 | — | — | WO | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20110124677-A1 | AMIDOALKYL-8-AZABICYCLO[3.2.1]OCTANE COMPOUNDS AS MU OPIOID RECEPTOR ANTAGONISTS | OPRM1, OPRL1, OPRK1 | ALDH1A1 1204/4885TSHR 228/4885CYP3A4 733/4885 |
| US-20090062335-A1 | Amidoalkyl-8-azabicyclo[3.2.1]octane compounds as mu opioid receptor antagonists | OPRM1, OPRL1, OPRK1 | ALDH1A1 1011/4885TSHR 205/4885CYP3A4 671/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.