Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 2/20 | 0.47 |
| ▸ | CA1 | P00915 | 1/20 | 0.47 |
| ▸ | NPC1 | O15118 | 1/20 | 0.45 |
| ▸ | RAB9A | P51151 | 1/20 | 0.45 |
| ▸ | PPARG | P37231 | 1/20 | 0.43 |
| ▸ | HPGDS | O60760 | 1/20 | 0.43 |
| ▸ | ANPEP | P15144 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL1109169 | 1.00 | CA2 (0.47) | CA2CA1NPC1RAB9APPARG | |
| SCHEMBL10272727 | 1.00 | CA2 (0.47) | CA2CA1NPC1RAB9APPARG | |
| SCHEMBL1109123 | 1.00 | CA2 (0.47) | CA2CA1NPC1RAB9APPARG | |
| SCHEMBL405181 | 0.93 | CA2 (0.49) | CA2CA1PPARGHPGDSANPEP | |
| SCHEMBL5450568 | 0.93 | CA2 (0.49) | CA2CA1PPARGHPGDSANPEP | |
| SCHEMBL254642 | 0.89 | CA2 (0.47) | CA2CA1NPC1RAB9AHPGDS | |
| SCHEMBL1912162 | 0.89 | NPC1 (0.45) | NPC1RAB9APPARGHPGDSANPEP | |
| SCHEMBL14400918 | 0.88 | — | — | |
| SCHEMBL12837824 | 0.88 | — | — | |
| SCHEMBL405336 | 0.88 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2012031298-A2 | ETHYNYLBENZENE DERIVATIVES | DUKE UNIVERSITY (US) | 2012-03-08 | — | — | WO | disclosed |