Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 5/20 | 0.62 |
| ▸ | CA2 | P00918 | 5/20 | 0.62 |
| ▸ | CA12 | O43570 | 4/20 | 0.62 |
| ▸ | CA7 | P43166 | 4/20 | 0.62 |
| ▸ | CA9 | Q16790 | 4/20 | 0.62 |
| ▸ | CA14 | Q9ULX7 | 4/20 | 0.62 |
| ▸ | XDH | P47989 | 2/20 | 0.62 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.56 |
| ▸ | HPGD | P15428 | 3/20 | 0.56 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.56 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.56 |
| ▸ | MAPT | P10636 | 3/20 | 0.56 |
| ▸ | TP53 | P04637 | 2/20 | 0.56 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.56 |
| ▸ | ALOX12 | P18054 | 2/20 | 0.56 |
| ▸ | LMNA | P02545 | 2/20 | 0.56 |
| ▸ | MEN1 | O00255 | 1/20 | 0.56 |
| ▸ | HTT | P42858 | 1/20 | 0.56 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.56 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.56 |
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 | |
|---|---|---|---|---|
| SCHEMBL19143102 | 0.86 | CA1 (0.52) | CA1CA2CA12CA7CA9 | |
| SCHEMBL8230251 | 0.86 | CA1 (0.67) | CA1CA2CA12CA7CA9 | |
| SCHEMBL2772279 | 0.84 | PKM (0.66) | CA1CA2CA12CA7CA9 | |
| Formaldehyde SCHEMBL11414726 | 0.84 | ALDH1A1 (0.56) | CA1CA2CA12CA7CA9 | |
| SCHEMBL14622438 | 0.83 | ALDH1A1 (0.51) | CA1CA2CA12CA7CA9 | |
| SCHEMBL7522545 | 0.83 | CA1 (0.62) | CA1CA2CA12CA7CA9 | |
| SCHEMBL2774960 | 0.83 | CA1 (0.62) | CA1CA2CA12CA7CA9 | |
| SCHEMBL8387915 | 0.81 | CA2 (0.61) | CA1CA2CA12CA7CA9 | |
| SCHEMBL542559 | 0.81 | CA1 (0.61) | CA1CA2CA12CA7CA9 | |
| SCHEMBL30232935 | 0.81 | CA1 (0.61) | CA1CA2CA12CA7CA9 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1558578-B1 | NOVEL ALKYNE COMPOUNDS HAVING AN MCH ANTAGONISTIC EFFECT AND MEDICAMENTS CONTAINING THESE COMPOUNDS | BOEHRINGER INGELHEIM PHARMA (DE) | 2013-03-13 | — | — | EP | disclosed |