Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 1/20 | 0.56 |
| ▸ | CA1 | P00915 | 1/20 | 0.56 |
| ▸ | CA2 | P00918 | 1/20 | 0.56 |
| ▸ | CA7 | P43166 | 1/20 | 0.56 |
| ▸ | CA9 | Q16790 | 1/20 | 0.56 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.56 |
| ▸ | TTR | P02766 | 1/20 | 0.52 |
| ▸ | DPP4 | P27487 | 1/20 | 0.52 |
| ▸ | FDPS | P14324 | 1/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.50 |
| ▸ | MAOB | P27338 | 1/20 | 0.48 |
| ▸ | NPC1 | O15118 | 2/20 | 0.47 |
| ▸ | RAB9A | P51151 | 2/20 | 0.47 |
| ▸ | ACHE | P22303 | 3/20 | 0.43 |
| ▸ | BCHE | P06276 | 2/20 | 0.43 |
| ▸ | P2RY12 | Q9H244 | 1/20 | 0.42 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.41 |
| ▸ | CASP3 | P42574 | 1/20 | 0.41 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.41 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL1704850 | 1.00 | CA12 (0.56) | CA12CA1CA2CA7CA9 | |
| SCHEMBL30403175 | 0.90 | CA12 (0.59) | CA12CA1CA2CA7CA9 | |
| SCHEMBL25760124 | 0.90 | CA12 (0.59) | CA12CA1CA2CA7CA9 | |
| SCHEMBL14148937 | 0.84 | CA12 (0.51) | CA12CA1CA2CA7CA9 | |
| SCHEMBL31145102 | 0.84 | CA12 (0.51) | CA12CA1CA2CA7CA9 | |
| SCHEMBL24366924 | 0.84 | CA12 (0.51) | CA12CA1CA2CA7CA9 | |
| SCHEMBL29081899 | 0.84 | CA12 (0.51) | CA12CA1CA2CA7CA9 | |
| SCHEMBL2078623 | 0.83 | CA12 (0.62) | CA12CA1CA2CA7CA9 | |
| SCHEMBL2078622 | 0.83 | CA12 (0.62) | CA12CA1CA2CA7CA9 | |
| SCHEMBL1321126 | 0.82 | CA12 (0.75) | CA12CA1CA2CA7CA9 |
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-2441763-A1 | Benzylpiperazine derivatives useful for the treatment of gastrointestinal disorders | Glaxo Group Limited (GB) | 2012-04-18 | — | — | EP | disclosed |