Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 6/20 | 0.44 |
| ▸ | CA1 | P00915 | 6/20 | 0.44 |
| ▸ | CA2 | P00918 | 6/20 | 0.44 |
| ▸ | CA9 | Q16790 | 6/20 | 0.44 |
| ▸ | STK17B | O94768 | 1/20 | 0.43 |
| ▸ | STK17A | Q9UEE5 | 1/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
| ▸ | DRD2 | P14416 | 3/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | CYP3A43 | Q9HB55 | 1/20 | 0.40 |
| ▸ | IDO1 | P14902 | 2/20 | 0.39 |
| ▸ | MAOA | P21397 | 1/20 | 0.38 |
| ▸ | MAOB | P27338 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL4038788 | 0.78 | STK17B (0.50) | CA12CA1CA2CA9STK17B | |
| SCHEMBL12514970 | 0.75 | CA12 (0.55) | CA12CA1CA2CA9TDP1 | |
| SCHEMBL5591652 | 0.75 | PLAU (0.54) | CA12CA1CA2CA9STK17B | |
| SCHEMBL19475821 | 0.73 | CA12 (0.60) | CA12CA1CA2CA9TDP1 | |
| SCHEMBL19733682 | 0.73 | CA12 (0.53) | CA12CA1CA2CA9TDP1 | |
| SCHEMBL20919690 | 0.72 | CA12 (0.61) | CA12CA1CA2CA9TDP1 | |
| SCHEMBL3468965 | 0.72 | DRD2 (0.51) | CA12CA1CA2CA9STK17B | |
| SCHEMBL5591617 | 0.71 | PLAU (0.46) | CA12CA1CA2CA9STK17B | |
| SCHEMBL12444076 | 0.71 | CA12 (0.51) | CA12CA1CA2CA9TDP1 | |
| SCHEMBL18848902 | 0.71 | CA1 (0.45) | CA12CA1CA2CA9STK17B |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-RE39088-E1 | Amide compounds and use of the same | JAPAN TOBACCO, INC. (JP) | 2006-05-02 | — | — | US | disclosed |
| EP-0849256-B1 | AMIDE COMPOUNDS AND USE OF THE SAME | JAPAN TOBACCO INC (JP) | 2005-06-08 | — | — | EP | disclosed |
| EP-1304322-A2 | Carboxylic acid compound and use thereof | Japan Tobacco Inc. (JP) | 2003-04-23 | — | — | EP | disclosed |
| US-6420561-B1 | Amide compounds and use thereof | JAPAN TOBACCO INC. (JP) | 2002-07-16 | — | — | US | disclosed |
| US-6174887-B1 | Amide compounds and use of the same | JAPAN TOBACCO INC. (JP) | 2001-01-16 | — | — | US | disclosed |
| EP-0849256-A1 | AMIDE COMPOUNDS AND USE OF THE SAME | Japan Tobacco Inc. (JP) | 1998-06-24 | — | — | EP | disclosed |