Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMO | O15229 | 2/20 | 0.54 |
| ▸ | CA12 | O43570 | 1/20 | 0.44 |
| ▸ | CA1 | P00915 | 1/20 | 0.44 |
| ▸ | CA2 | P00918 | 1/20 | 0.44 |
| ▸ | CA6 | P23280 | 1/20 | 0.44 |
| ▸ | CA9 | Q16790 | 1/20 | 0.44 |
| ▸ | TP53 | P04637 | 1/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.42 |
| ▸ | HPGD | P15428 | 2/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | UNG | P13051 | 1/20 | 0.41 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | GAA | P10253 | 2/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | USP2 | O75604 | 1/20 | 0.40 |
| ▸ | MYC | P01106 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL28976679 | 0.83 | KMO (0.54) | KMOCA12CA1CA2CA6 | |
| SCHEMBL30281285 | 0.83 | KMO (0.54) | KMOCA12CA1CA2CA6 | |
| Bicarbonate SCHEMBL10984022 | 0.77 | KDM1A (0.57) | MAPK1CYP2C19 | |
| SCHEMBL9946130 | 0.75 | KMO (0.49) | KMOCA12CA1CA2CA6 | |
| SCHEMBL1543703 | 0.74 | KMO (0.83) | KMOCA12CA1CA2CA6 | |
| SCHEMBL30281246 | 0.74 | KMO (0.83) | KMOCA12CA1CA2CA6 | |
| SCHEMBL24411013 | 0.71 | KMO (0.57) | KMOCA12CA1CA2CA6 | |
| SCHEMBL22887370 | 0.71 | KMO (0.57) | KMOCA12CA1CA2CA6 | |
| SCHEMBL22887291 | 0.71 | KMO (0.57) | KMOCA12CA1CA2CA6 | |
| SCHEMBL15019437 | 0.71 | KMO (0.90) | KMOCA12CA1CA2CA6 |
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-2207540-A1 | CYCLOPROPYL ARYL AMIDE DERIVATIVES AND USES THEREOF | F. Hoffmann-Roche AG (CH) | 2010-07-21 | — | — | EP | disclosed |
| WO-2009043784-A1 | CYCLOPROPYL ARYL AMIDE DERIVATIVES AND USES THEREOF | F. HOFFMANN-LA ROCHE AG (CH) | 2009-04-09 | — | — | WO | disclosed |