Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | PDE5A | O76074 | 1/20 | 0.36 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.36 |
| ▸ | GCGR | P47871 | 3/20 | 0.36 |
| ▸ | LSS | P48449 | 1/20 | 0.36 |
| ▸ | BUB1 | O43683 | 3/20 | 0.35 |
| ▸ | PDE2A | O00408 | 1/20 | 0.35 |
| ▸ | CNR2 | P34972 | 1/20 | 0.35 |
| ▸ | GIPR | P48546 | 2/20 | 0.34 |
| ▸ | EGFR | P00533 | 1/20 | 0.34 |
| ▸ | TUBB4A | P04350 | 1/20 | 0.34 |
| ▸ | TUBB | P07437 | 1/20 | 0.34 |
| ▸ | TUBA3C | P0DPH7 | 1/20 | 0.34 |
| ▸ | TUBA1B | P68363 | 1/20 | 0.34 |
| ▸ | TUBA4A | P68366 | 1/20 | 0.34 |
| ▸ | TUBB4B | P68371 | 1/20 | 0.34 |
| ▸ | TUBB3 | Q13509 | 1/20 | 0.34 |
| ▸ | TUBB2A | Q13885 | 1/20 | 0.34 |
| ▸ | TUBB8 | Q3ZCM7 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL15056246 | 0.82 | BUB1 (0.37) | NPC1RAB9APDE5ALSSBUB1 | |
| SCHEMBL15075441 | 0.78 | ADORA2A (0.39) | ADORA2AGCGRBUB1PDE2ACNR2 | |
| SCHEMBL16992786 | 0.72 | PDE2A (0.45) | ADORA2APDE2ACNR2MEN1KMT2A | |
| SCHEMBL16178399 | 0.72 | BUB1 (0.61) | BUB1 | |
| SCHEMBL15056116 | 0.69 | GUCY1B2 (0.41) | NPC1RAB9AADORA2ABUB1MEN1 | |
| SCHEMBL15055664 | 0.69 | BUB1 (0.40) | NPC1RAB9AADORA2ABUB1MEN1 | |
| SCHEMBL15075433 | 0.69 | ADORA2A (0.40) | ADORA2AMEN1KMT2ASMN1; SMN2KDM4E | |
| SCHEMBL15055635 | 0.68 | BUB1 (0.37) | NPC1RAB9ABUB1HTTSMN1; SMN2 | |
| SCHEMBL15056127 | 0.67 | GUCY1B2 (0.41) | NPC1RAB9AADORA2ABUB1HTT | |
| SCHEMBL15055827 | 0.66 | ADORA3 (0.39) | NPC1RAB9AADORA2ABUB1SMN1; SMN2 |
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 |