Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSK | P43235 | 1/20 | 0.46 |
| ▸ | EPHX1 | P07099 | 3/20 | 0.44 |
| ▸ | CA12 | O43570 | 1/20 | 0.41 |
| ▸ | CA1 | P00915 | 1/20 | 0.41 |
| ▸ | CA2 | P00918 | 1/20 | 0.41 |
| ▸ | MMP1 | P03956 | 1/20 | 0.41 |
| ▸ | MMP2 | P08253 | 1/20 | 0.41 |
| ▸ | MMP3 | P08254 | 1/20 | 0.41 |
| ▸ | MMP9 | P14780 | 1/20 | 0.41 |
| ▸ | MMP8 | P22894 | 1/20 | 0.41 |
| ▸ | CA9 | Q16790 | 1/20 | 0.41 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | LIPE | Q05469 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | MMP13 | P45452 | 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 | |
|---|---|---|---|---|
| SCHEMBL5146684 | 1.00 | CTSK (0.46) | CTSKEPHX1CA12CA1CA2 | |
| Bicarbonate SCHEMBL3253206 | 0.97 | CTSK (0.44) | CTSKEPHX1CA12CA1CA2 | |
| Bicarbonate SCHEMBL3254172 | 0.97 | CTSK (0.44) | CTSKEPHX1CA12CA1CA2 | |
| Bicarbonate SCHEMBL3256781 | 0.97 | CTSK (0.44) | CTSKEPHX1CA12CA1CA2 | |
| Acetic Acid SCHEMBL3400867 | 0.96 | CTSK (0.43) | CTSKEPHX1CA12CA1CA2 | |
| Acetic Acid SCHEMBL614057 | 0.96 | CTSK (0.43) | CTSKEPHX1CA12CA1CA2 | |
| Bicarbonate SCHEMBL3256745 | 0.94 | CTSK (0.42) | CTSKEPHX1CA12CA1CA2 | |
| Bicarbonate SCHEMBL3248764 | 0.94 | CTSK (0.42) | CTSKEPHX1CA12CA1CA2 | |
| Bicarbonate SCHEMBL3258865 | 0.94 | CTSK (0.42) | CTSKEPHX1CA12CA1CA2 | |
| SCHEMBL7114929 | 0.87 | CTSK (0.45) | CTSKEPHX1CA12CA1CA2 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1677767-A4 | CRYSTALLINE FORM OF GAMMA-AMINOBUTYRIC ACID ANALOG | XENOPORT INC (US) | 2008-03-05 | — | — | EP | disclosed |
| EP-1677767-A2 | CRYSTALLINE FORM OF GAMMA-AMINOBUTYRIC ACID ANALOG | Xenoport, Inc. (US) | 2006-07-12 | — | — | EP | disclosed |
| WO-2005037784-A2 | CRYSTALLINE FORM OF GAMMA-AMINOBUTYRIC ACID ANALOG | XENOPORT, INC. (US) | 2005-04-28 | — | — | WO | disclosed |