Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 10/20 | 0.45 |
| ▸ | USP2 | O75604 | 8/20 | 0.45 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.45 |
| ▸ | TSHR | P16473 | 7/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.40 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 2/20 | 0.40 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | TP53 | P04637 | 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 | |
|---|---|---|---|---|
| SCHEMBL15034049 | 0.94 | MGLL (0.42) | CYP3A4USP2HSD17B10TSHRCYP2D6 | |
| SCHEMBL15034170 | 0.91 | MAPT (0.42) | HSD17B10SMN1; SMN2ALDH1A1HPGDALOX15 | |
| SCHEMBL15034119 | 0.89 | POLB (0.44) | CYP3A4USP2HSD17B10SMN1; SMN2ALDH1A1 | |
| SCHEMBL15034146 | 0.87 | MAPT (0.39) | TSHRSMN1; SMN2ALDH1A1MAPTTP53 | |
| SCHEMBL15034035 | 0.86 | MGLL (0.46) | SMN1; SMN2HPGDMAPT | |
| SCHEMBL15020006 | 0.86 | ALDH1A1 (0.44) | SMN1; SMN2ALDH1A1HPGDMAPTTP53 | |
| SCHEMBL15034141 | 0.85 | SMN1; SMN2 (0.46) | CYP3A4USP2HSD17B10TSHRSMN1; SMN2 | |
| SCHEMBL15034186 | 0.85 | MAPT (0.43) | HSD17B10SMN1; SMN2ALDH1A1HPGDALOX15 | |
| SCHEMBL15034168 | 0.83 | MAPT (0.41) | SMN1; SMN2MAPTTP53 | |
| SCHEMBL15034134 | 0.83 | CFTR (0.44) | HSD17B10TSHRCYP2D6SMN1; SMN2ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| US-8883789-B2 | Piperazine derivatives and their use as positive allosteric modulators of mGluR5 receptors | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2014-11-11 | — | — | US | disclosed |
| US-8883789-B2 | Piperazine derivatives and their use as positive allosteric modulators of mGluR5 receptors | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2014-11-11 | — | — | US | disclosed |
| US-20130158042-A1 | NOVEL COMPOUNDS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2013-06-20 | — | — | US | disclosed |
| US-20130158042-A1 | NOVEL COMPOUNDS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2013-06-20 | — | — | US | 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-20130158042-A1 | NOVEL COMPOUNDS | GRM5, GRIK5, GRM1 | CYP3A4 3945/4885USP2 3127/4885HSD17B10 3408/4885 |
“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.