Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 2/20 | 0.56 |
| ▸ | MEN1 | O00255 | 1/20 | 0.56 |
| ▸ | CCR1 | P32246 | 5/20 | 0.52 |
| ▸ | CA12 | O43570 | 1/20 | 0.51 |
| ▸ | CA1 | P00915 | 1/20 | 0.51 |
| ▸ | CA2 | P00918 | 1/20 | 0.51 |
| ▸ | CA7 | P43166 | 1/20 | 0.51 |
| ▸ | CA9 | Q16790 | 1/20 | 0.51 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.51 |
| ▸ | CCR3 | P51677 | 1/20 | 0.50 |
| ▸ | DRD2 | P14416 | 4/20 | 0.49 |
| ▸ | DRD4 | P21917 | 2/20 | 0.49 |
| ▸ | DRD3 | P35462 | 2/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.49 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.49 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.49 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.49 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.49 |
| ▸ | ADRA1A | P35348 | 2/20 | 0.47 |
| ▸ | TET3 | O43151 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL2229509 | 0.90 | MEN1 (0.62) | KMT2AMEN1CCR1CA12CA1 | |
| SCHEMBL1581499 | 0.86 | MEN1 (0.58) | KMT2AMEN1CCR1CA12CA1 | |
| SCHEMBL23706089 | 0.85 | ALDH1A1 (0.50) | KMT2AMEN1CA12CA1CA2 | |
| SCHEMBL23365138 | 0.84 | MEN1 (0.60) | KMT2AMEN1CCR1CA12CA1 | |
| SCHEMBL3541960 | 0.84 | DRD2 (0.49) | CCR1DRD2DRD4DRD3OPRM1 | |
| SCHEMBL3633446 | 0.84 | CA12 (0.51) | KMT2AMEN1CCR1CA12CA1 | |
| SCHEMBL3125858 | 0.84 | DRD2 (0.41) | KMT2AMEN1CCR1CA12CA1 | |
| SCHEMBL1824469 | 0.83 | DRD2 (0.46) | KMT2AMEN1CCR1DRD2DRD4 | |
| SCHEMBL2535215 | 0.83 | CCR1 (0.46) | KMT2AMEN1CCR1DRD2DRD4 | |
| SCHEMBL349076 | 0.82 | HSD11B1 (0.61) | HSD11B1 |
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-1904451-A1 | ARYL-ALKYLAMINES AND HETEROARYL-ALKYLAMINES AS PROTEIN KINASE INHIBITORS | Astex Therapeutics Limited (GB) | 2008-04-02 | — | — | EP | disclosed |
| WO-2006136830-A1 | ARYL-ALKYLAMINES AND HETEROARYL-ALKYLAMINES AS PROTEIN KINASE INHIBITORS | ASTEX THERAPEUTICS LIMITED (GB) | 2006-12-28 | — | — | WO | disclosed |