Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CAPN1 | P07384 | 1/20 | 0.41 |
| ▸ | CAPN2 | P17655 | 1/20 | 0.41 |
| ▸ | APP | P05067 | 1/20 | 0.35 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.32 |
| ▸ | ESR1 | P03372 | 1/20 | 0.32 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | USP2 | O75604 | 1/20 | 0.30 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.30 |
| ▸ | TSHR | P16473 | 1/20 | 0.30 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.30 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL5226682 | 1.00 | CAPN1 (0.41) | CAPN1CAPN2APPTRPA1ESR1 | |
| SCHEMBL6366611 | 0.81 | CAPN1 (0.42) | CAPN1CAPN2APPTRPA1ESR1 | |
| SCHEMBL11048028 | 0.81 | CYP2A6 (0.39) | TRPA1KDM4EALDH1A1SMN1; SMN2CYP2C9 | |
| SCHEMBL6366603 | 0.81 | CAPN1 (0.42) | CAPN1CAPN2APPTRPA1ESR1 | |
| SCHEMBL4697789 | 0.81 | CYP2A6 (0.39) | TRPA1KDM4EALDH1A1SMN1; SMN2CYP2C9 | |
| SCHEMBL4697791 | 0.81 | CYP2A6 (0.39) | TRPA1KDM4EALDH1A1SMN1; SMN2CYP2C9 | |
| SCHEMBL10986457 | 0.79 | TRPA1 (0.47) | TRPA1ALDH1A1CYP2C9 | |
| SCHEMBL10986454 | 0.79 | TRPA1 (0.47) | TRPA1ALDH1A1CYP2C9 | |
| SCHEMBL5655358 | 0.78 | ALDH1A1 (0.48) | KDM4EALDH1A1USP2ALOX15TSHR | |
| SCHEMBL5655352 | 0.78 | ALDH1A1 (0.48) | KDM4EALDH1A1USP2ALOX15TSHR |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1737824-A2 | NOVEL ALKYNE COMPOUNDS HAVING AN MCH-ANTAGONISTIC EFFECT, AND MEDICAMENTS CONTAINING SAID COMPOUNDS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2007-01-03 | — | — | EP | disclosed |
| US-20050245529-A1 | Alkyne compounds with MCH antagonistic activity and medicaments comprising these compounds | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2005-11-03 | — | — | US | disclosed |
| WO-2005103032-A2 | NOVEL ALKYNE COMPOUNDS HAVING AN MCH-ANTAGONISTIC EFFECT, AND MEDICAMENTS CONTAINING SAID COMPOUNDS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2005-11-03 | — | — | 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 (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-20050245529-A1 | Alkyne compounds with MCH antagonistic activity and medicaments comprising these compounds | MCHR1, GPR119, MCHR2 | CAPN1 3507/4885CAPN2 3983/4885APP 3959/4885 |
“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.