Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DPP4 | P27487 | 2/20 | 0.33 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.33 |
| ▸ | METAP1 | P53582 | 1/20 | 0.32 |
| ▸ | ALOX5 | P09917 | 2/20 | 0.32 |
| ▸ | TP53 | P04637 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL19982053 | 1.00 | DPP4 (0.33) | DPP4EPHX1METAP1ALOX5TP53 | |
| SCHEMBL23022847 | 0.97 | EPHX1 (0.37) | DPP4EPHX1METAP1ALOX5TP53 | |
| SCHEMBL19982043 | 0.97 | EPHX1 (0.37) | DPP4EPHX1METAP1ALOX5TP53 | |
| SCHEMBL12960415 | 0.89 | — | — | |
| SCHEMBL16512120 | 0.80 | ALDH1A1 (0.38) | EPHX1TP53 | |
| SCHEMBL18827772 | 0.77 | ACHE (0.32) | — | |
| SCHEMBL3670488 | 0.75 | — | — | |
| SCHEMBL3680720 | 0.72 | SIGMAR1 (0.42) | DPP4EPHX1METAP1ALOX5 | |
| SCHEMBL10305516 | 0.72 | DPP4 (0.43) | DPP4EPHX1METAP1ALOX5 | |
| SCHEMBL453071 | 0.72 | SIGMAR1 (0.42) | DPP4EPHX1METAP1ALOX5 |
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 |
|---|---|---|---|---|---|---|---|
| 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 | claimed |
| 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 | claimed |
| 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 |