Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1C4 | P17516 | 1/20 | 0.33 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.33 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 2/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.30 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.30 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.30 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL2011424 | 0.66 | TSHR (0.35) | TSHR | |
| SCHEMBL473047 | 0.63 | GLS (0.47) | HTTKDM4ETSHRCYP1A2CYP2D6 | |
| SCHEMBL1005092 | 0.63 | GLS (0.47) | HTTKDM4ETSHRCYP1A2CYP2D6 | |
| SCHEMBL14198708 | 0.62 | KDM4E (0.34) | ALDH1A1LMNAKDM4E | |
| SCHEMBL1966001 | 0.62 | KDM4E (0.52) | ALDH1A1LMNAMAPTKDM4ECYP1A2 | |
| SCHEMBL25000890 | 0.62 | ITGB3 (0.32) | HTTKDM4ETSHR | |
| SCHEMBL15556224 | 0.62 | ITGB3 (0.32) | HTTKDM4ETSHR | |
| SCHEMBL30799257 | 0.61 | CYP3A4 (0.46) | AKR1C4AKR1C3AKR1C2LMNAMAPT | |
| SCHEMBL29159496 | 0.61 | CYP3A4 (0.46) | AKR1C4AKR1C3AKR1C2LMNAMAPT | |
| SCHEMBL29159495 | 0.61 | CYP3A4 (0.46) | AKR1C4AKR1C3AKR1C2LMNAMAPT |
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-2316829-A1 | Heterocyclic derivatives as modulators of ion channels | Vertex Pharmaceuticals Incorporated (US) | 2011-05-04 | — | — | EP | disclosed |
| WO-2007075895-A2 | HETEROCYCLIC DERIVATIVES AS MODULATORS OF ION CHANNELS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2007-07-05 | — | — | WO | disclosed |