Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MYC | P01106 | 3/20 | 0.42 |
| ▸ | HRH1 | P35367 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.34 |
| ▸ | MEN1 | O00255 | 2/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | MAPT | P10636 | 2/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.33 |
| ▸ | HTR6 | P50406 | 1/20 | 0.33 |
| ▸ | IDH1 | O75874 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | SSTR4 | P31391 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL14837159 | 0.83 | KMT2A (0.41) | MYCKMT2AMEN1KDM4EALDH1A1 | |
| SCHEMBL918234 | 0.77 | PARP1 (0.34) | HRH1HTR6 | |
| SCHEMBL14837184 | 0.73 | LMNA (0.39) | KMT2AMEN1KDM4EALDH1A1MAPT | |
| SCHEMBL917709 | 0.71 | KDM4E (0.48) | KMT2AKDM4EALDH1A1LMNASMN1; SMN2 | |
| SCHEMBL14837106 | 0.71 | KMT2A (0.43) | KMT2AMEN1KDM4EALDH1A1MAPT | |
| SCHEMBL917909 | 0.69 | PARP1 (0.39) | HTR6 | |
| SCHEMBL917974 | 0.68 | CYP2A6 (0.39) | CYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL14836947 | 0.68 | PARP1 (0.39) | KMT2ASMN1; SMN2 | |
| SCHEMBL918232 | 0.67 | PARP1 (0.35) | KMT2AMEN1ALDH1A1TSHRSMN1; SMN2 | |
| SCHEMBL27796221 | 0.66 | PARP1 (0.32) | ALDH1A1MAPTGAAHPGDCYP2C19 |
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-1758864-B1 | Substituted tetrahydro-2H-isoquinolin-1-one derivatives, method for their preparation, and their use as medicaments | SANOFI AVENTIS DEUTSCHLAND (DE) | 2013-04-10 | — | — | EP | disclosed |