Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPK14 | Q16539 | 1/20 | 0.46 |
| ▸ | CFTR | P13569 | 1/20 | 0.42 |
| ▸ | TUBB4A | P04350 | 3/20 | 0.42 |
| ▸ | TUBB | P07437 | 3/20 | 0.42 |
| ▸ | TUBA3C | P0DPH7 | 3/20 | 0.42 |
| ▸ | TUBA1B | P68363 | 3/20 | 0.42 |
| ▸ | TUBA4A | P68366 | 3/20 | 0.42 |
| ▸ | TUBB4B | P68371 | 3/20 | 0.42 |
| ▸ | TUBB3 | Q13509 | 3/20 | 0.42 |
| ▸ | TUBB2A | Q13885 | 3/20 | 0.42 |
| ▸ | TUBB8 | Q3ZCM7 | 3/20 | 0.42 |
| ▸ | TUBA3E | Q6PEY2 | 3/20 | 0.42 |
| ▸ | TUBA1A | Q71U36 | 3/20 | 0.42 |
| ▸ | TUBA1C | Q9BQE3 | 3/20 | 0.42 |
| ▸ | TUBB6 | Q9BUF5 | 3/20 | 0.42 |
| ▸ | TUBB2B | Q9BVA1 | 3/20 | 0.42 |
| ▸ | TUBB1 | Q9H4B7 | 3/20 | 0.42 |
| ▸ | IKBKB | O14920 | 1/20 | 0.41 |
| ▸ | HCRTR1 | O43613 | 3/20 | 0.40 |
| ▸ | HCRTR2 | O43614 | 3/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL4128731 | 0.96 | MAPK14 (0.47) | MAPK14CFTRTUBB4ATUBBTUBA3C | |
| SCHEMBL5013821 | 0.89 | MAPK14 (0.42) | MAPK14CFTRTUBB4ATUBBTUBA3C | |
| SCHEMBL5013667 | 0.87 | MAPK14 (0.41) | MAPK14CFTRTUBB4ATUBBTUBA3C | |
| SCHEMBL4132641 | 0.85 | IKBKB (0.47) | TUBB4ATUBBTUBA3CTUBA1BTUBA4A | |
| SCHEMBL4121659 | 0.75 | PTPN1 (0.49) | TDP1 | |
| SCHEMBL30810254 | 0.74 | NR4A2 (0.51) | CFTRSLC2A1EGFRFGFR1KDR | |
| SCHEMBL11775066 | 0.72 | ALDH1A1 (0.46) | IKBKBEGFRGABRA1GABRG2GABRB3 | |
| SCHEMBL12861120 | 0.69 | CYP11B2 (0.52) | TUBB4ATUBBTUBA3CTUBA1BTUBA4A | |
| SCHEMBL3624605 | 0.69 | HCRTR1 (0.65) | HCRTR1HCRTR2NR4A2 | |
| SCHEMBL20118979 | 0.68 | CYP46A1 (0.56) | CFTRSLC2A1GABRA1GABRG2GABRB3 |
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-1890993-A2 | BENZOIC ACID DERIVATIVES THAT ARE MODULATORS OR ANTAGONISTS OF GLYR | AstraZeneca AB (SE) | 2008-02-27 | — | — | EP | disclosed |
| WO-2006121390-A2 | BENZOIC ACID DERIVATIVES THAT ARE MODULATORS OR AGONISTS OF GLYR | ASTRAZENECA AB (SE) | 2006-11-16 | — | — | WO | disclosed |