Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.39 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.39 |
| ▸ | BUB1 | O43683 | 11/20 | 0.38 |
| ▸ | BTK | Q06187 | 1/20 | 0.35 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.33 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.33 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.33 |
| ▸ | GUCY1A1 | Q02108 | 4/20 | 0.33 |
| ▸ | GUCY1B1 | Q02153 | 4/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL15055635 | 0.84 | BUB1 (0.37) | BUB1NPC1ALDH1A1RAB9ASMN1; SMN2 | |
| SCHEMBL15056246 | 0.83 | BUB1 (0.37) | BUB1NPC1ALDH1A1RAB9ASMN1; SMN2 | |
| SCHEMBL15055439 | 0.81 | BUB1 (0.42) | ADORA3KCNH2BUB1BTKGUCY1A1 | |
| SCHEMBL15055876 | 0.81 | BUB1 (0.41) | BUB1 | |
| SCHEMBL15075372 | 0.80 | BUB1 (0.46) | ADORA3KCNH2BUB1GUCY1A1GUCY1B1 | |
| SCHEMBL15056116 | 0.78 | GUCY1B2 (0.41) | ADORA3KCNH2BUB1BTKADORA2A | |
| SCHEMBL15055664 | 0.76 | BUB1 (0.40) | ADORA3KCNH2BUB1BTKADORA2A | |
| SCHEMBL15056127 | 0.75 | GUCY1B2 (0.41) | ADORA3KCNH2BUB1BTKADORA2A | |
| SCHEMBL15075396 | 0.74 | BUB1 (0.70) | BUB1 | |
| SCHEMBL16361236 | 0.71 | BUB1 (0.58) | BUB1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2794596-A1 | SUBSTITUTED BENZYLPYRAZOLES | Bayer Intellectual Property GmbH (DE) | 2014-10-29 | — | — | EP | disclosed |
| WO-2013092512-A1 | SUBSTITUTED BENZYLPYRAZOLES | BAYER INTELLECTUAL PROPERTY GMBH (DE) | 2013-06-27 | — | — | WO | disclosed |