Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACACB | O00763 | 1/20 | 0.42 |
| ▸ | IDH1 | O75874 | 2/20 | 0.41 |
| ▸ | BDKRB1 | P46663 | 8/20 | 0.38 |
| ▸ | S1PR3 | Q99500 | 6/20 | 0.38 |
| ▸ | S1PR1 | P21453 | 4/20 | 0.38 |
| ▸ | CNR2 | P34972 | 1/20 | 0.35 |
| ▸ | FPR2 | P25090 | 1/20 | 0.34 |
| ▸ | P2RX3 | P56373 | 1/20 | 0.34 |
| ▸ | P2RX2 | Q9UBL9 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL3122585 | 1.00 | ACACB (0.42) | ACACBIDH1BDKRB1S1PR3S1PR1 | |
| SCHEMBL3128537 | 0.88 | ACACB (0.52) | ACACBIDH1BDKRB1S1PR3 | |
| SCHEMBL13119978 | 0.88 | ACACB (0.52) | ACACBIDH1BDKRB1S1PR3 | |
| SCHEMBL19304683 | 0.84 | S1PR3 (0.42) | ACACBBDKRB1S1PR3S1PR1 | |
| SCHEMBL2949119 | 0.81 | AAK1 (0.49) | ACACBIDH1BDKRB1S1PR3 | |
| SCHEMBL16088899 | 0.81 | AAK1 (0.49) | ACACBIDH1BDKRB1S1PR3 | |
| SCHEMBL16505078 | 0.76 | ACACB (0.36) | ACACBIDH1S1PR3S1PR1 | |
| SCHEMBL24123105 | 0.75 | IDH1 (0.39) | ACACBIDH1S1PR3S1PR1 | |
| SCHEMBL30388688 | 0.75 | IDH1 (0.39) | ACACBIDH1S1PR3S1PR1 | |
| SCHEMBL31064460 | 0.75 | IDH1 (0.38) | ACACBIDH1S1PR3S1PR1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2970240-B1 | 3-PYRIMIDIN-4-YL-OXAZOLIDIN-2-ONES AS INHIBITORS OF MUTANT IDH | NOVARTIS AG (CH) | 2018-01-10 | — | — | EP | disclosed |
| EP-2970242-B1 | 3-PYRIMIDIN-4-YL-OXAZOLIDIN-2-ONES AS INHIBITORS OF MUTANT IDH | NOVARTIS AG (CH) | 2017-09-06 | — | — | EP | disclosed |
| 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 |