Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 3/20 | 0.64 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.55 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.55 |
| ▸ | ALOX12 | P18054 | 2/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.45 |
| ▸ | TSHR | P16473 | 1/20 | 0.45 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.45 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.42 |
| ▸ | POLB | P06746 | 3/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.38 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.38 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.38 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.38 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.38 |
| ▸ | GRIN2C | Q14957 | 1/20 | 0.38 |
| ▸ | GRIN3A | Q8TCU5 | 1/20 | 0.38 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | CA1 | P00915 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL11138990 | 0.79 | IDO1 (0.44) | CA2GABRA1GABRB2ALOX12ALDH1A1 | |
| SCHEMBL38598 | 0.79 | CA2 (1.00) | CA2GABRA1GABRB2ALOX12ALDH1A1 | |
| SCHEMBL4079663 | 0.78 | POLB (0.50) | CA2ALOX12ALDH1A1TSHRTDP1 | |
| Hydrochloric Acid SCHEMBL7076174 | 0.77 | CA2 (0.94) | CA2GABRA1GABRB2ALOX12ALDH1A1 | |
| Hydrochloric Acid SCHEMBL28473948 | 0.77 | CA2 (0.94) | CA2GABRA1GABRB2ALOX12ALDH1A1 | |
| Methyl Alcohol SCHEMBL28909622 | 0.77 | CA2 (0.94) | CA2GABRA1GABRB2ALOX12ALDH1A1 | |
| SCHEMBL28361779 | 0.77 | CA2 (0.94) | CA2GABRA1GABRB2ALOX12ALDH1A1 | |
| SCHEMBL31622310 | 0.77 | CA2 (0.94) | CA2GABRA1GABRB2ALOX12ALDH1A1 | |
| SCHEMBL22444875 | 0.77 | CA2 (0.94) | CA2GABRA1GABRB2ALOX12ALDH1A1 | |
| SCHEMBL29978072 | 0.77 | CA2 (0.94) | CA2GABRA1GABRB2ALOX12ALDH1A1 |
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-1773816-A2 | MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS | Vertex Pharmaceuticals Incorporated (US) | 2007-04-18 | — | — | EP | disclosed |
| WO-2006002421-A2 | MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2006-01-05 | — | — | WO | disclosed |