Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2C | P28335 | 2/20 | 0.39 |
| ▸ | PTPRC | P08575 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.37 |
| ▸ | MEN1 | O00255 | 2/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | GAA | P10253 | 2/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | CA12 | O43570 | 1/20 | 0.34 |
| ▸ | CA2 | P00918 | 1/20 | 0.34 |
| ▸ | CA9 | Q16790 | 1/20 | 0.34 |
| ▸ | GALR1 | P47211 | 1/20 | 0.33 |
| ▸ | TDP2 | O95551 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL5225774 | 0.87 | HTR2C (0.37) | HTR2CPTPRCALDH1A1MAPK1MEN1 | |
| SCHEMBL29489302 | 0.84 | HTR2C (0.41) | HTR2CPTPRCALDH1A1MAPK1MEN1 | |
| SCHEMBL728223 | 0.77 | NPC1 (0.39) | ALDH1A1MAPK1MEN1KMT2ANPC1 | |
| SCHEMBL28522627 | 0.72 | ALDH1A1 (0.43) | HTR2CPTPRCALDH1A1MAPK1MEN1 | |
| SCHEMBL7488496 | 0.72 | IDO1 (0.38) | ALDH1A1MAPK1MEN1KMT2ANPC1 | |
| SCHEMBL29079989 | 0.72 | ALDH1A1 (0.36) | HTR2CPTPRCALDH1A1MAPK1MEN1 | |
| SCHEMBL8649025 | 0.72 | PTGS2 (0.42) | ALDH1A1MAPK1MEN1KMT2AGAA | |
| SCHEMBL15258336 | 0.71 | HSD17B1 (0.48) | MAPK1KMT2AMAPTRAB9ASMN1; SMN2 | |
| SCHEMBL728161 | 0.71 | AHR (0.48) | ALDH1A1MEN1KMT2AGAAMAPT | |
| Hydrochloric Acid SCHEMBL27699821 | 0.71 | BACE1 (0.44) | TDP2 |
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 | HTR2C 301/4885PTPRC 2859/4885ALDH1A1 3033/4885 |
“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.