Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AAK1 | Q2M2I8 | 6/20 | 0.46 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.40 |
| ▸ | NQO2 | P16083 | 1/20 | 0.40 |
| ▸ | STK17B | O94768 | 1/20 | 0.40 |
| ▸ | STK17A | Q9UEE5 | 1/20 | 0.40 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | GFER | P55789 | 1/20 | 0.39 |
| ▸ | ALOX5AP | P20292 | 1/20 | 0.39 |
| ▸ | FEN1 | P39748 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | IDO1 | P14902 | 1/20 | 0.38 |
| ▸ | CA12 | O43570 | 1/20 | 0.37 |
| ▸ | CA1 | P00915 | 1/20 | 0.37 |
| ▸ | CA2 | P00918 | 1/20 | 0.37 |
| ▸ | CA9 | Q16790 | 1/20 | 0.37 |
| ▸ | CKS1B | P61024 | 1/20 | 0.36 |
| ▸ | SKP1 | P63208 | 1/20 | 0.36 |
| ▸ | SKP2 | Q13309 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL2943289 | 0.87 | AAK1 (0.45) | AAK1SCN9AIDO1CA12CA1 | |
| SCHEMBL16552184 | 0.85 | STK17B (0.47) | AAK1HTTNPSR1NQO2STK17B | |
| SCHEMBL31362427 | 0.84 | AAK1 (0.40) | AAK1HTTNPSR1NQO2STK17B | |
| SCHEMBL31362474 | 0.82 | AAK1 (0.43) | AAK1HTTNPSR1NQO2STK17B | |
| SCHEMBL12476826 | 0.81 | MTNR1B (0.40) | ALDH1A1 | |
| SCHEMBL19900097 | 0.81 | AAK1 (0.38) | AAK1ALDH1A1ALOX5AP | |
| SCHEMBL2947631 | 0.80 | AGBL2 (0.36) | ALDH1A1 | |
| SCHEMBL31569504 | 0.79 | TDP1 (0.41) | AAK1HTTNPSR1NQO2STK17B | |
| SCHEMBL27207972 | 0.77 | PTPN1 (0.48) | AAK1IDO1 | |
| SCHEMBL27208784 | 0.77 | PTPN1 (0.48) | AAK1IDO1 |
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-2396301-A2 | SMALL MOLECULE BRADYKININ B1 RECEPTOR ANTAGONISTS | Jerini AG (DE) | 2011-12-21 | — | — | EP | disclosed |
| WO-2010091876-A2 | SMALL MOLECULE BRADYKININ B1 RECEPTOR ANTAGONISTS | JERINI AG (DE) | 2010-08-19 | — | — | WO | disclosed |