Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGDR2 | Q9Y5Y4 | 3/20 | 0.67 |
| ▸ | ERN1 | O75460 | 2/20 | 0.50 |
| ▸ | HPGD | P15428 | 5/20 | 0.49 |
| ▸ | TSHR | P16473 | 2/20 | 0.47 |
| ▸ | POLB | P06746 | 1/20 | 0.47 |
| ▸ | CTDSP1 | Q9GZU7 | 1/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.47 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 3/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL2066597 | 0.84 | PTGDR2 (0.64) | PTGDR2ERN1HPGDTSHRPOLB | |
| SCHEMBL30679647 | 0.84 | PTGDR2 (0.64) | PTGDR2ERN1HPGDTSHRPOLB | |
| SCHEMBL5699880 | 0.83 | HPGD (0.65) | PTGDR2ERN1HPGDTSHRPOLB | |
| SCHEMBL29888853 | 0.81 | PTGDR2 (0.60) | PTGDR2ERN1HPGDTSHRPOLB | |
| SCHEMBL12293415 | 0.81 | PTGDR2 (0.60) | PTGDR2ERN1HPGDTSHRPOLB | |
| Hydrochloric Acid SCHEMBL29104095 | 0.81 | PTGDR2 (0.60) | PTGDR2ERN1HPGDTSHRPOLB | |
| SCHEMBL4960450 | 0.81 | PTGDR2 (0.60) | PTGDR2ERN1HPGDTSHRPOLB | |
| SCHEMBL21558276 | 0.81 | PTGDR2 (0.60) | PTGDR2ERN1HPGDTSHRPOLB | |
| SCHEMBL2558659 | 0.81 | PTGDR2 (0.64) | PTGDR2ERN1HPGDTSHRPOLB | |
| SCHEMBL155442 | 0.81 | HPGD (0.64) | PTGDR2ERN1HPGDTSHRPOLB |
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 7 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 |
| US-5378718-A | Cardiovascular activity, hypotensive | CEDONA PHARMACEUTICALS B.V. (NL) | 1995-01-03 | — | — | US | disclosed |
| EP-0541634-A1 | 1,4-DIHYDROPYRIDINE DERIVATIVES | CEDONA PHARMACEUTICALS B.V. (NL) | 1993-05-19 | — | — | EP | disclosed |
| WO-1992002503-A1 | NOVEL 1,4-DIHYDROPYRIDINE DERIVATIVES | CEDONA PHARMACEUTICALS BV (NL) | 1992-02-20 | — | — | 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-20050234101-A1 | Alkyne compounds with MCH antagonistic activity and medicaments comprising these compounds | MCHR1, GPR119, MCHR2 | PTGDR2 689/4885ERN1 3201/4885HPGD 3325/4885 |
“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.