Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LSS | P48449 | 2/20 | 0.70 |
| ▸ | CYP46A1 | Q9Y6A2 | 3/20 | 0.63 |
| ▸ | BCHE | P06276 | 1/20 | 0.58 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.55 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.55 |
| ▸ | HTT | P42858 | 3/20 | 0.54 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.54 |
| ▸ | LMNA | P02545 | 1/20 | 0.54 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.54 |
| ▸ | TSHR | P16473 | 1/20 | 0.54 |
| ▸ | FAAH | O00519 | 1/20 | 0.53 |
| ▸ | WNK1 | Q9H4A3 | 1/20 | 0.52 |
| ▸ | GAA | P10253 | 1/20 | 0.52 |
| ▸ | MAPT | P10636 | 1/20 | 0.52 |
| ▸ | HPGD | P15428 | 1/20 | 0.52 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.52 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.52 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.51 |
| ▸ | DRD3 | P35462 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL17455930 | 0.88 | LSS (0.57) | LSSCYP46A1BCHEALDH1A1KDM4E | |
| SCHEMBL17456008 | 0.87 | CYP46A1 (0.78) | LSSCYP46A1BCHEALDH1A1KDM4E | |
| SCHEMBL30064831 | 0.81 | ALDH1A1 (0.63) | LSSBCHEALDH1A1KDM4EHTT | |
| SCHEMBL17455996 | 0.77 | CYP46A1 (1.00) | CYP46A1ALDH1A1KDM4EHTT | |
| SCHEMBL30064689 | 0.76 | KDM4E (0.60) | CYP46A1ALDH1A1KDM4ECYP2C9LMNA | |
| SCHEMBL17456047 | 0.75 | LSS (0.53) | LSSCYP46A1BCHEALDH1A1KDM4E | |
| SCHEMBL6293769 | 0.74 | KMT2A (0.61) | BCHEALDH1A1KDM4EHTTCYP2C9 | |
| SCHEMBL7468027 | 0.74 | CYP2D6 (0.80) | LSSBCHEALDH1A1KDM4ELMNA | |
| SCHEMBL14456766 | 0.73 | CYP3A4 (0.67) | LSSALDH1A1KDM4ECYP2C9CYP3A4 | |
| SCHEMBL27856022 | 0.73 | POLB (0.70) | LSSALDH1A1HTTLMNAFAAH |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2982666-B1 | HETEROCYCLIC COMPOUND | TAKEDA PHARMACEUTICALS CO (JP) | 2019-08-07 | — | — | EP | disclosed |
| EP-2982666-A1 | HETEROCYCLIC COMPOUND | Takeda Pharmaceutical Company Limited (JP) | 2016-02-10 | — | — | EP | disclosed |