Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 1/20 | 0.40 |
| ▸ | CA1 | P00915 | 1/20 | 0.40 |
| ▸ | CA2 | P00918 | 1/20 | 0.40 |
| ▸ | CA7 | P43166 | 1/20 | 0.40 |
| ▸ | CA9 | Q16790 | 1/20 | 0.40 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | IDO1 | P14902 | 2/20 | 0.39 |
| ▸ | TDO2 | P48775 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | TTR | P02766 | 1/20 | 0.38 |
| ▸ | DPP4 | P27487 | 1/20 | 0.38 |
| ▸ | CNKSR1 | Q969H4 | 1/20 | 0.37 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.36 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.36 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.36 |
| ▸ | XPO1 | O14980 | 2/20 | 0.36 |
| ▸ | PKM | P14618 | 1/20 | 0.36 |
| ▸ | ESR1 | P03372 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL10258000 | 1.00 | CA12 (0.40) | CA12CA1CA2CA7CA9 | |
| SCHEMBL543224 | 0.86 | CA12 (0.40) | CA12CA1CA2CA7CA9 | |
| SCHEMBL10257517 | 0.86 | CA12 (0.40) | CA12CA1CA2CA7CA9 | |
| SCHEMBL10257567 | 0.83 | CA12 (0.40) | CA12CA1CA2CA7CA9 | |
| SCHEMBL543264 | 0.83 | CA12 (0.40) | CA12CA1CA2CA7CA9 | |
| SCHEMBL2779826 | 0.82 | GAA (0.40) | NPC1RAB9ATDO2PKM | |
| SCHEMBL2779825 | 0.82 | GAA (0.40) | NPC1RAB9ATDO2PKM | |
| SCHEMBL10257233 | 0.81 | NPC1 (0.44) | CA12CA1CA2CA7CA9 | |
| SCHEMBL543543 | 0.81 | NPC1 (0.44) | CA12CA1CA2CA7CA9 | |
| SCHEMBL31487609 | 0.76 | CNKSR1 (0.42) | 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 |
|---|---|---|---|---|---|---|---|
| US-8110585-B2 | Bicyclic compound and pharmaceutical use thereof | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2012-02-07 | — | — | US | disclosed |