Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BUB1 | O43683 | 9/20 | 0.40 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.40 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.40 |
| ▸ | GUCY1A1 | Q02108 | 4/20 | 0.39 |
| ▸ | GUCY1B1 | Q02153 | 4/20 | 0.39 |
| ▸ | GUCY1B2 | O75343 | 3/20 | 0.39 |
| ▸ | GUCY1A2 | P33402 | 3/20 | 0.39 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.38 |
| ▸ | BTK | Q06187 | 1/20 | 0.35 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.34 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.34 |
| ▸ | NPC1 | O15118 | 2/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | RAB9A | P51151 | 2/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
| ▸ | HTT | P42858 | 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 | |
|---|---|---|---|---|
| SCHEMBL15056116 | 0.88 | GUCY1B2 (0.41) | BUB1KCNH2ADORA3GUCY1A1GUCY1B1 | |
| SCHEMBL15056127 | 0.85 | GUCY1B2 (0.41) | BUB1KCNH2ADORA3GUCY1A1GUCY1B1 | |
| SCHEMBL15055439 | 0.79 | BUB1 (0.42) | BUB1KCNH2ADORA3GUCY1A1GUCY1B1 | |
| SCHEMBL15075440 | 0.78 | GUCY1B2 (0.51) | BUB1KCNH2ADORA3GUCY1A1GUCY1B1 | |
| SCHEMBL15055827 | 0.76 | ADORA3 (0.39) | BUB1KCNH2ADORA3GUCY1A1GUCY1B1 | |
| SCHEMBL16178664 | 0.72 | BUB1 (0.66) | BUB1 | |
| SCHEMBL28489041 | 0.70 | GUCY1B2 (0.57) | KCNH2ADORA3GUCY1A1GUCY1B1GUCY1B2 | |
| SCHEMBL15056092 | 0.69 | NPC1 (0.37) | BUB1ADORA2ANPC1RAB9AMEN1 | |
| SCHEMBL16906988 | 0.68 | GUCY1B2 (0.48) | GUCY1A1GUCY1B1GUCY1B2GUCY1A2OPRK1 | |
| SCHEMBL20190965 | 0.66 | ADORA3 (0.70) | KCNH2ADORA3GUCY1A1GUCY1B1 |
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 4 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 | claimed |
| WO-2013092512-A1 | SUBSTITUTED BENZYLPYRAZOLES | BAYER INTELLECTUAL PROPERTY GMBH (DE) | 2013-06-27 | — | — | WO | claimed |
| 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 |