Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSP90AA1 | P07900 | 5/20 | 0.43 |
| ▸ | HSP90AB1 | P08238 | 2/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.43 |
| ▸ | MAPT | P10636 | 5/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.41 |
| ▸ | CDK5R1 | Q15078 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | RPS6KB1 | P23443 | 1/20 | 0.41 |
| ▸ | AKT1 | P31749 | 1/20 | 0.41 |
| ▸ | MKNK1 | Q9BUB5 | 1/20 | 0.39 |
| ▸ | MKNK2 | Q9HBH9 | 1/20 | 0.39 |
| ▸ | CDK2 | P24941 | 2/20 | 0.39 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.39 |
| ▸ | CCNA1 | P78396 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | CCNE1 | P24864 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL1218738 | 0.87 | HSP90AA1 (0.46) | HSP90AA1HSP90AB1ALDH1A1MAPTKDM4E | |
| SCHEMBL13673761 | 0.86 | HSP90AA1 (0.43) | HSP90AA1HSP90AB1ALDH1A1MAPTKDM4E | |
| SCHEMBL3823671 | 0.86 | HSP90AB1 (0.60) | HSP90AA1HSP90AB1 | |
| SCHEMBL1220836 | 0.79 | HSP90AA1 (0.57) | HSP90AA1HSP90AB1ALDH1A1MAPTKDM4E | |
| SCHEMBL1221076 | 0.77 | HSP90AB1 (0.65) | HSP90AA1HSP90AB1ALDH1A1MAPTKDM4E | |
| SCHEMBL1218856 | 0.75 | HSP90AB1 (0.64) | HSP90AA1HSP90AB1 | |
| SCHEMBL19112676 | 0.75 | CDK5 (0.42) | HSP90AA1ALDH1A1MAPTKDM4EGAA | |
| SCHEMBL1220767 | 0.69 | HSP90AB1 (0.62) | HSP90AA1HSP90AB1ALDH1A1KDM4E | |
| SCHEMBL1220070 | 0.67 | HSP90AB1 (0.68) | HSP90AA1HSP90AB1 | |
| SCHEMBL1220468 | 0.67 | HSP90AB1 (0.67) | HSP90AA1HSP90AB1 |
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-2380879-B1 | Tetrahydroindolone and tetrahydroindazolone derivatives | ESANEX INC (US) | 2017-07-12 | — | — | EP | claimed |
| WO-2016086153-A2 | USE OF TETRAHYDRO!NDAZOLYLBEIMZAMIDE AND TETRAHYDROINDOLYLBENZAMIDE DERIVATIVES FOR THE TREATMENT OF HUMAN IMMUNODEFICIENCY VIRUS (HIV) AND ACQUIRED IMMUNE DEFICIENCY SYNDROME (AIDS) | ESANEX, INC. (US) | 2016-06-02 | — | — | WO | disclosed |