Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.39 |
| ▸ | LMNA | P02545 | 2/20 | 0.39 |
| ▸ | TSHR | P16473 | 2/20 | 0.39 |
| ▸ | CFTR | P13569 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 2/20 | 0.38 |
| ▸ | MAPT | P10636 | 6/20 | 0.37 |
| ▸ | USP2 | O75604 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | MGLL | Q99685 | 2/20 | 0.36 |
| ▸ | TP53 | P04637 | 3/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.36 |
| ▸ | TRPV6 | Q9H1D0 | 1/20 | 0.35 |
| ▸ | RECQL | P46063 | 1/20 | 0.35 |
| ▸ | PROKR1 | Q8TCW9 | 2/20 | 0.35 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | PARP14 | Q460N5 | 1/20 | 0.35 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.35 |
| ▸ | USP30 | Q70CQ3 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL15034161 | 0.96 | HPGD (0.40) | ALDH1A1KDM4ELMNATSHRCFTR | |
| SCHEMBL15034172 | 0.96 | HPGD (0.40) | ALDH1A1KDM4ELMNATSHRCFTR | |
| SCHEMBL15034134 | 0.88 | CFTR (0.44) | ALDH1A1TSHRCFTRHPGDMAPT | |
| SCHEMBL15034138 | 0.87 | HPGD (0.44) | ALDH1A1LMNATSHRCFTRHPGD | |
| SCHEMBL15034131 | 0.86 | CYP3A4 (0.48) | ALDH1A1TSHRHPGDUSP2MAPK1 | |
| SCHEMBL15020006 | 0.86 | ALDH1A1 (0.44) | ALDH1A1KDM4EHPGDMAPTTP53 | |
| SCHEMBL15020047 | 0.85 | HPGD (0.41) | ALDH1A1LMNATSHRCFTRHPGD | |
| SCHEMBL15034147 | 0.85 | HPGD (0.41) | ALDH1A1LMNATSHRCFTRHPGD | |
| SCHEMBL15034139 | 0.85 | ALDH1A1 (0.47) | ALDH1A1CFTRHPGDMAPTTP53 | |
| SCHEMBL15034152 | 0.84 | MAPT (0.39) | ALDH1A1LMNATSHRCFTRHPGD |
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 | ALDH1A1 3952/4885KDM4E 1242/4885LMNA 4835/4885 |
“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.