Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | OGG1 | O15527 | 1/20 | 0.41 |
| ▸ | MAOB | P27338 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 4/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.40 |
| ▸ | LMNA | P02545 | 3/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.40 |
| ▸ | MEN1 | O00255 | 2/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.40 |
| ▸ | S1PR4 | O95977 | 1/20 | 0.40 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 2/20 | 0.39 |
| ▸ | RAB9A | P51151 | 2/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | CES2 | O00748 | 1/20 | 0.38 |
| ▸ | CES1 | P23141 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 2/20 | 0.38 |
| ▸ | GSK3B | P49841 | 2/20 | 0.38 |
| ▸ | POLB | P06746 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL94197 | 0.83 | ALDH1A1 (0.42) | MAPTKMT2ALMNANPSR1MEN1 | |
| SCHEMBL94199 | 0.83 | ALDH1A1 (0.42) | MAPTKMT2ALMNANPSR1MEN1 | |
| SCHEMBL11261744 | 0.73 | KMT2A (0.39) | OGG1MAOBMAPTKMT2ALMNA | |
| SCHEMBL11092095 | 0.73 | KMT2A (0.39) | OGG1MAOBMAPTKMT2ALMNA | |
| SCHEMBL11092100 | 0.73 | KMT2A (0.39) | OGG1MAOBMAPTKMT2ALMNA | |
| SCHEMBL27792518 | 0.70 | KMT2A (0.57) | MAOBMAPTKMT2ALMNANPSR1 | |
| SCHEMBL24788880 | 0.70 | KMT2A (0.46) | MAOBMAPTKMT2ALMNANPSR1 | |
| SCHEMBL30747063 | 0.69 | AKR1C1 (0.48) | MAPTKMT2ALMNAMEN1MAPK1 | |
| SCHEMBL18812994 | 0.69 | AKR1C1 (0.48) | MAPTKMT2ALMNAMEN1MAPK1 | |
| SCHEMBL2384544 | 0.69 | KMT2A (0.55) | MAOBMAPTKMT2ALMNANPSR1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1558578-A1 | NOVEL ALKYNE COMPOUNDS HAVING AN MCH ANTAGONISTIC EFFECT AND MEDICAMENTS CONTAINING THESE COMPOUNDS | BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) | 2005-08-03 | — | — | EP | disclosed |
| WO-2004039780-A1 | NOVEL ALKYNE COMPOUNDS HAVING AN MCH ANTAGONISTIC EFFECT AND MEDICAMENTS CONTAINING THESE COMPOUNDS | BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) | 2004-05-13 | — | — | WO | disclosed |