Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 5/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.34 |
| ▸ | CASP1 | P29466 | 4/20 | 0.34 |
| ▸ | TSHR | P16473 | 4/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.34 |
| ▸ | CASP7 | P55210 | 3/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 2/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.32 |
| ▸ | CA12 | O43570 | 1/20 | 0.31 |
| ▸ | CA1 | P00915 | 1/20 | 0.31 |
| ▸ | CA2 | P00918 | 1/20 | 0.31 |
| ▸ | CA9 | Q16790 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL15477309 | 0.83 | HCAR2 (0.33) | TSHRMEN1KMT2AALDH1A1 | |
| SCHEMBL16858349 | 0.83 | KDM4E (0.38) | MAPTKDM4ECASP1TSHRHSD17B10 | |
| SCHEMBL8149058 | 0.80 | SMN1; SMN2 (0.34) | TSHRCASP7MAPK1ALDH1A1CA1 | |
| SCHEMBL18704241 | 0.80 | ALDH1A1 (0.44) | MAPTCASP1TSHRMAPK1RAB9A | |
| SCHEMBL2002088 | 0.79 | MEN1 (0.40) | MAPTKDM4ETSHRHSD17B10MEN1 | |
| SCHEMBL27947536 | 0.77 | MEN1 (0.39) | MAPTKDM4ETSHRHSD17B10MEN1 | |
| Hydrochloric Acid SCHEMBL28385805 | 0.77 | MEN1 (0.39) | MAPTKDM4ETSHRHSD17B10MEN1 | |
| SCHEMBL14519315 | 0.75 | MAPT (0.39) | MAPTKDM4ECASP1TSHRHSD17B10 | |
| SCHEMBL15477513 | 0.73 | TSHR (0.34) | MAPTKDM4ETSHRMAPK1MEN1 | |
| SCHEMBL19999744 | 0.72 | POLB (0.36) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1264823-A1 | Process for the preparation of 2,3-dicyanopropionates | Novartis AG (CH) | 2002-12-11 | — | — | EP | disclosed |