Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AHR | P35869 | 1/20 | 0.39 |
| ▸ | MAP4K4 | O95819 | 6/20 | 0.38 |
| ▸ | CA12 | O43570 | 1/20 | 0.38 |
| ▸ | CA9 | Q16790 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 4/20 | 0.36 |
| ▸ | RAB9A | P51151 | 4/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.35 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.35 |
| ▸ | MINK1 | Q8N4C8 | 1/20 | 0.35 |
| ▸ | TNIK | Q9UKE5 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.35 |
| ▸ | MEN1 | O00255 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL4476172 | 0.86 | NPC1 (0.40) | MAP4K4CA12CA9NPC1RAB9A | |
| SCHEMBL4480451 | 0.85 | PIK3CD (0.43) | MAP4K4CA12CA9NPC1RAB9A | |
| SCHEMBL2321892 | 0.85 | CHRM1 (0.47) | MAP4K4CA12CA9NPC1RAB9A | |
| SCHEMBL4477379 | 0.82 | ALDH1A1 (0.37) | MAP4K4CA12CA9NPC1RAB9A | |
| SCHEMBL4493198 | 0.81 | MAP4K4 (0.37) | MAP4K4CA12CA9NPC1RAB9A | |
| SCHEMBL4481669 | 0.77 | AHR (0.44) | AHRMAP4K4CA12CA9NPC1 | |
| SCHEMBL10017416 | 0.76 | MAP4K4 (0.49) | MAP4K4CYP1A2KCNH2MINK1TNIK | |
| SCHEMBL2322584 | 0.76 | MCHR1 (0.45) | NPC1RAB9ASMN1; SMN2CYP1A2CYP2C19 | |
| SCHEMBL4477755 | 0.72 | CHRM1 (0.44) | MAP4K4CA12CA9NPC1RAB9A | |
| SCHEMBL15903348 | 0.71 | HTT (0.35) | ALDH1A1KDM4EL3MBTL1HTTGAA |
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-7592358-B2 | Alkyne compounds with MCH antagonistic activity and medicaments comprising these compounds | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2009-09-22 | — | — | US | disclosed |
| EP-1737823-A2 | NOVEL ALKYNE COMPOUNDS WITH AN MCH-ANTAGONISTIC ACTION AND MEDICAMENTS COMPRISING SAID COMPOUNDS | Boehringer Ingelheim International GmbH (DE) | 2007-01-03 | — | — | EP | disclosed |
| WO-2005103002-A2 | NOVEL ALKYNE COMPOUNDS WITH AN MCH-ANTAGONISTIC ACTION AND MEDICAMENTS COMPRISING SAID COMPOUNDS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2005-11-03 | — | — | WO | disclosed |
| US-20050234101-A1 | Alkyne compounds with MCH antagonistic activity and medicaments comprising these compounds | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2005-10-20 | — | — | 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-20050234101-A1 | Alkyne compounds with MCH antagonistic activity and medicaments comprising these compounds | MCHR1, GPR119, MCHR2 | AHR 94/4885MAP4K4 2864/4885CA12 4335/4885 |
“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.