Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EGFR | P00533 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | CASP1 | P29466 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | SMYD2 | Q9NRG4 | 2/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | HTT | P42858 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | GABRP | O00591 | 1/20 | 0.31 |
| ▸ | GABRD | O14764 | 1/20 | 0.31 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.31 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.31 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.31 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.31 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.31 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.31 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.31 |
| ▸ | GABRB2 | P47870 | 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 | |
|---|---|---|---|---|
| SCHEMBL4479571 | 0.78 | SMYD2 (0.35) | SMYD2CYP3A4HTTSMN1; SMN2 | |
| SCHEMBL3948675 | 0.77 | BRD9 (0.35) | MAPTLMNASMN1; SMN2 | |
| SCHEMBL4210418 | 0.73 | KDM4E (0.30) | MAPTSMYD2 | |
| SCHEMBL28723954 | 0.73 | SMYD2 (0.35) | ALDH1A1LMNATDP1SMYD2CYP3A4 | |
| SCHEMBL3402073 | 0.71 | KDM4E (0.40) | ALDH1A1SMYD2CYP3A4HTTSMN1; SMN2 | |
| SCHEMBL3411982 | 0.71 | LMNA (0.43) | ALDH1A1LMNATDP1SMN1; SMN2 | |
| SCHEMBL30298274 | 0.70 | SMYD2 (0.31) | SMYD2CYP3A4HTTSMN1; SMN2 | |
| SCHEMBL6617538 | 0.70 | MAOB (0.49) | SMYD2CYP3A4HTTSMN1; SMN2 | |
| SCHEMBL29967957 | 0.70 | SMYD2 (0.36) | SMYD2CYP3A4HTTSMN1; SMN2 | |
| SCHEMBL14449077 | 0.69 | KDM1A (0.41) | MAPTALDH1A1LMNAHTTSMN1; SMN2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2009034546-A2 | TRANS-DECAHYDROISOQUINOLINE DERIVATIVES | ACTELION PHARMACEUTICALS LTD (CH) | 2009-03-19 | — | — | WO | disclosed |