Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ERBB2 | P04626 | 1/20 | 0.47 |
| ▸ | SLC9A1 | P19634 | 1/20 | 0.40 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.39 |
| ▸ | DGAT1 | O75907 | 1/20 | 0.38 |
| ▸ | GRM5 | P41594 | 1/20 | 0.38 |
| ▸ | CYP11B2 | P19099 | 4/20 | 0.38 |
| ▸ | CYP11B1 | P15538 | 3/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | PKM | P14618 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.36 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 2/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.36 |
| ▸ | PPARG | P37231 | 1/20 | 0.36 |
| ▸ | NCOA2 | Q15596 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL14555850 | 0.83 | ERBB2 (0.47) | ERBB2SLC9A1LRRK2LMNAKDM4E | |
| SCHEMBL7010761 | 0.79 | CYP1A2 (0.34) | ERBB2DGAT1CYP11B2CYP11B1KDM4E | |
| SCHEMBL7679638 | 0.74 | ERBB2 (0.45) | ERBB2LRRK2GRM5CYP11B2KDM4E | |
| SCHEMBL18357050 | 0.73 | ERBB2 (0.41) | ERBB2LRRK2GRM5KDM4EALDH1A1 | |
| SCHEMBL7006231 | 0.73 | DGAT1 (0.67) | SLC9A1LRRK2DGAT1KDM4EALDH1A1 | |
| SCHEMBL7015277 | 0.73 | RPS6KA3 (0.44) | SLC9A1DGAT1GRM5LMNAPKM | |
| SCHEMBL7013819 | 0.73 | DGAT1 (0.41) | SLC9A1DGAT1GRM5LMNAPKM | |
| SCHEMBL7012436 | 0.72 | CDK1 (0.46) | ERBB2LRRK2GRM5CYP11B2CYP11B1 | |
| SCHEMBL7676386 | 0.71 | LRRK2 (0.51) | LRRK2CYP11B2CYP11B1LMNAKDM4E | |
| SCHEMBL15985325 | 0.71 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1327631-A2 | Fused heterocyclic compounds, their production and use as angiotensin II antagonists | Takeda Chemical Industries, Ltd. (JP) | 2003-07-16 | — | — | EP | disclosed |
| EP-0518033-B1 | Fused heterocyclic compounds, their production and use | TAKEDA CHEMICAL INDUSTRIES LTD (JP) | 2003-07-02 | — | — | EP | disclosed |
| US-5389641-A | Fused heterocyclic compounds, having angiotensin II antagonistic activity | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1995-02-14 | — | — | US | disclosed |
| EP-0518033-A1 | Fused heterocyclic compounds, their production and use | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1992-12-16 | — | — | EP | disclosed |