Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 2/20 | 0.41 |
| ▸ | CA2 | P00918 | 2/20 | 0.41 |
| ▸ | CA12 | O43570 | 1/20 | 0.41 |
| ▸ | CA7 | P43166 | 1/20 | 0.41 |
| ▸ | CA9 | Q16790 | 1/20 | 0.41 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.41 |
| ▸ | CYP11B1 | P15538 | 2/20 | 0.41 |
| ▸ | CYP11B2 | P19099 | 2/20 | 0.41 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.41 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.41 |
| ▸ | ENPP2 | Q13822 | 3/20 | 0.40 |
| ▸ | TUBB1 | Q9H4B7 | 2/20 | 0.39 |
| ▸ | TUBB4A | P04350 | 1/20 | 0.39 |
| ▸ | TUBB | P07437 | 1/20 | 0.39 |
| ▸ | TUBA3C | P0DPH7 | 1/20 | 0.39 |
| ▸ | TUBA1B | P68363 | 1/20 | 0.39 |
| ▸ | TUBA4A | P68366 | 1/20 | 0.39 |
| ▸ | TUBB4B | P68371 | 1/20 | 0.39 |
| ▸ | TUBB3 | Q13509 | 1/20 | 0.39 |
| ▸ | TUBB2A | Q13885 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL24994751 | 0.83 | CA1 (0.44) | CA1CA2CA12CA7CA9 | |
| SCHEMBL6600252 | 0.81 | BACE1 (0.43) | CA1CA2CA12CA7CA9 | |
| SCHEMBL29950672 | 0.81 | BACE1 (0.43) | CA1CA2CA12CA7CA9 | |
| SCHEMBL4313349 | 0.81 | CA12 (0.61) | CA1CA2CA12CA7CA9 | |
| SCHEMBL203357 | 0.80 | CA1 (0.58) | CA1CA2CA12CA7CA9 | |
| SCHEMBL29496939 | 0.80 | CA1 (0.58) | CA1CA2CA12CA7CA9 | |
| SCHEMBL18552495 | 0.79 | GAA (0.48) | CA1CA2CA12CA7CA9 | |
| SCHEMBL12667544 | 0.78 | CA12 (0.42) | CA1CA2CA12CA7CA9 | |
| SCHEMBL8702709 | 0.78 | LMNA (0.55) | — | |
| SCHEMBL5882846 | 0.78 | ALDH1A1 (0.65) | ALDH1A1CYP1A1CYP1A2CYP1B1CYP2C9 |
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-1998042709-A1 | ENDOTHELIN-RECEPTOR ANTAGONISTS | MERCK PATENT GMBH (DE) | 1998-10-01 | — | — | WO | disclosed |