Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HMGB1 | P09429 | 1/20 | 0.67 |
| ▸ | TAAR1 | Q96RJ0 | 5/20 | 0.56 |
| ▸ | TSHR | P16473 | 1/20 | 0.53 |
| ▸ | FOLH1 | Q04609 | 2/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.40 |
| ▸ | DHODH | Q02127 | 1/20 | 0.39 |
| ▸ | ALB | P02768 | 1/20 | 0.39 |
| ▸ | G6PD | P11413 | 1/20 | 0.39 |
| ▸ | CASP7 | P55210 | 1/20 | 0.39 |
| ▸ | CASP6 | P55212 | 1/20 | 0.39 |
| ▸ | HTR2A | P28223 | 1/20 | 0.39 |
| ▸ | MMP2 | P08253 | 1/20 | 0.39 |
| ▸ | SLC16A3 | O15427 | 1/20 | 0.39 |
| ▸ | PNMT | P11086 | 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL15954238 | 0.98 | HMGB1 (0.65) | HMGB1TAAR1TSHRFOLH1ALDH1A1 | |
| SCHEMBL28204179 | 0.84 | TSHR (0.55) | HMGB1TSHRFOLH1ALDH1A1TP53 | |
| SCHEMBL27830334 | 0.82 | TSHR (0.53) | HMGB1TSHRFOLH1ALDH1A1TP53 | |
| SCHEMBL7644126 | 0.82 | TSHR (0.53) | HMGB1TSHRFOLH1ALDH1A1TP53 | |
| SCHEMBL1449563 | 0.81 | HMGB1 (0.70) | HMGB1TAAR1TSHRFOLH1ALDH1A1 | |
| SCHEMBL31484803 | 0.81 | HMGB1 (0.70) | HMGB1TAAR1TSHRFOLH1ALDH1A1 | |
| SCHEMBL9221155 | 0.80 | HMGB1 (0.69) | HMGB1TAAR1FOLH1ALDH1A1ALOX15 | |
| SCHEMBL30159595 | 0.80 | HMGB1 (0.69) | HMGB1TAAR1FOLH1ALDH1A1ALOX15 | |
| Hydrochloric Acid SCHEMBL14247891 | 0.79 | HMGB1 (0.68) | HMGB1TAAR1TSHRFOLH1ALDH1A1 | |
| SCHEMBL28204201 | 0.79 | TSHR (0.59) | HMGB1TSHRFOLH1ALDH1A1TP53 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2014147586-A1 | 1-(2-(ETHYLAMINO)PYRIMIDIN-4-YL)PYRROLIDIN-2-ONES AS INHIBITORS OF MUTANT IDH | NOVARTIS AG (CH) | 2014-09-25 | — | — | WO | disclosed |
| EP-2771337-A1 | 3-PYRIMIDIN-4-YL-OXAZOLIDIN-2-ONES AS INHIBITORS OF MUTANT IDH | Novartis AG (CH) | 2014-09-03 | — | — | EP | disclosed |
| WO-2013046136-A1 | 3-PYRIMIDIN-4-YL-OXAZOLIDIN-2-ONES AS INHIBITORS OF MUTANT IDH | NOVARTIS AG (CH) | 2013-04-04 | — | — | WO | disclosed |