Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDO1 | P14902 | 1/20 | 0.59 |
| ▸ | TDO2 | P48775 | 1/20 | 0.59 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.58 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.58 |
| ▸ | LMNA | P02545 | 3/20 | 0.58 |
| ▸ | GAA | P10253 | 1/20 | 0.57 |
| ▸ | MAPT | P10636 | 2/20 | 0.57 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.57 |
| ▸ | HTT | P42858 | 1/20 | 0.53 |
| ▸ | ATM | Q13315 | 1/20 | 0.52 |
| ▸ | USP2 | O75604 | 1/20 | 0.51 |
| ▸ | PKM | P14618 | 1/20 | 0.51 |
| ▸ | HPGD | P15428 | 1/20 | 0.51 |
| ▸ | TSHR | P16473 | 1/20 | 0.51 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.51 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.50 |
| ▸ | MTOR | P42345 | 1/20 | 0.46 |
| ▸ | RICTOR | Q6R327 | 1/20 | 0.46 |
| ▸ | RPTOR | Q8N122 | 1/20 | 0.46 |
| ▸ | MAPKAP1 | Q9BPZ7 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL7607750 | 0.85 | SMN1; SMN2 (0.48) | IDO1TDO2ALDH1A1SMN1; SMN2LMNA | |
| SCHEMBL12747117 | 0.84 | PDK2 (0.46) | IDO1TDO2ALDH1A1SMN1; SMN2LMNA | |
| SCHEMBL27780994 | 0.81 | USP2 (0.55) | IDO1ALDH1A1LMNAMAPTHTT | |
| SCHEMBL699106 | 0.81 | IDO1 (0.48) | IDO1TDO2ALDH1A1SMN1; SMN2LMNA | |
| SCHEMBL25435983 | 0.80 | IDO1 (0.77) | IDO1TDO2ALDH1A1SMN1; SMN2LMNA | |
| SCHEMBL1460831 | 0.80 | SMN1; SMN2 (0.70) | IDO1TDO2ALDH1A1SMN1; SMN2LMNA | |
| SCHEMBL8056975 | 0.77 | GAA (0.61) | IDO1TDO2ALDH1A1SMN1; SMN2LMNA | |
| SCHEMBL734639 | 0.77 | IDO1 (0.47) | IDO1ALDH1A1SMN1; SMN2LMNAMAPT | |
| SCHEMBL18552440 | 0.77 | ALDH1A1 (0.43) | IDO1TDO2ALDH1A1SMN1; SMN2LMNA | |
| SCHEMBL27780980 | 0.77 | ALDH1A1 (0.47) | IDO1ALDH1A1LMNAGAAMAPT |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-101516844-B | 4-heteroaryl substituted 1-aminocyclohexane-1-and cyclohexene-1-derivatives having activity on opioid receptor systems | GRUENENTHAL GMBH | 2013-12-11 | — | — | CN | disclosed |
| US-8138187-B2 | Substituted heteroaryl derivatives | GRUENENTHAL GMBH (DE) | 2012-03-20 | — | — | US | disclosed |
| US-20100009986-A1 | SUBSTITUTED HETEROARYL DERIVATIVES | GRUNENTHAL GMBH (DE) | 2010-01-14 | — | — | US | disclosed |
| CN-101516844-A | 4-heteroaryl substituted 1-aminocyclohexane-1-and cyclohexene-1-derivatives having activity on opioid receptor systems | GRUENENTHAL GMBH (DE) | 2009-08-26 | — | — | CN | 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 (1 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-20100009986-A1 | SUBSTITUTED HETEROARYL DERIVATIVES | CYP3A43, HMGCR, ABCG2 | IDO1 2394/4885TDO2 1393/4885ALDH1A1 3171/4885 |
“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.