Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.47 |
| ▸ | CA1 | P00915 | 2/20 | 0.43 |
| ▸ | CA2 | P00918 | 2/20 | 0.43 |
| ▸ | CA4 | P22748 | 2/20 | 0.43 |
| ▸ | CA6 | P23280 | 2/20 | 0.43 |
| ▸ | GSK3B | P49841 | 5/20 | 0.43 |
| ▸ | CDK5 | Q00535 | 5/20 | 0.43 |
| ▸ | CDK5R1 | Q15078 | 5/20 | 0.43 |
| ▸ | CCNB2 | O95067 | 4/20 | 0.43 |
| ▸ | CDK1 | P06493 | 4/20 | 0.43 |
| ▸ | CCNB1 | P14635 | 4/20 | 0.43 |
| ▸ | CCNB3 | Q8WWL7 | 4/20 | 0.43 |
| ▸ | TUBB4A | P04350 | 1/20 | 0.43 |
| ▸ | TUBB | P07437 | 1/20 | 0.43 |
| ▸ | TUBA3C | P0DPH7 | 1/20 | 0.43 |
| ▸ | TUBA1B | P68363 | 1/20 | 0.43 |
| ▸ | TUBA4A | P68366 | 1/20 | 0.43 |
| ▸ | TUBB4B | P68371 | 1/20 | 0.43 |
| ▸ | TUBB3 | Q13509 | 1/20 | 0.43 |
| ▸ | TUBB2A | Q13885 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL16813010 | 0.92 | ALDH1A1 (0.47) | ALDH1A1CA1CA2CA4CA6 | |
| SCHEMBL16796630 | 0.86 | CA1 (0.41) | ALDH1A1CA1CA2CA4CA6 | |
| SCHEMBL16812997 | 0.83 | GABRA1 (0.50) | GSK3BCDK5CDK5R1CCNB2CDK1 | |
| SCHEMBL16812980 | 0.82 | ALDH1A1 (0.52) | ALDH1A1TUBB4ATUBBTUBA3CTUBA1B | |
| SCHEMBL16812979 | 0.82 | CHRM4 (0.59) | ALDH1A1GSK3BCDK5CDK5R1CCNB2 | |
| SCHEMBL16796684 | 0.81 | TLR8 (0.38) | GSK3BCCNB2CDK1CCNB1CCNB3 | |
| SCHEMBL16796584 | 0.80 | GABRA1 (0.38) | GSK3BCDK5CDK5R1CCNB2CDK1 | |
| SCHEMBL16812999 | 0.80 | GSK3B (0.44) | ALDH1A1CA1CA2CA4CA6 | |
| SCHEMBL16813012 | 0.80 | GSK3B (0.43) | ALDH1A1CA1CA2CA4CA6 | |
| SCHEMBL16812971 | 0.80 | ALDH1A1 (0.62) | ALDH1A1GSK3BCDK5CDK5R1CCNB2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2015088565-A1 | P2X4 RECEPTOR MODULATING COMPOUNDS AND METHODS OF USE THEREOF | SUNOVION PHARMACEUTICALS INC. (US) | 2015-06-18 | — | — | WO | disclosed |
| WO-2015088565-A1 | P2X4 RECEPTOR MODULATING COMPOUNDS AND METHODS OF USE THEREOF | SUNOVION PHARMACEUTICALS INC. (US) | 2015-06-18 | — | — | WO | disclosed |