Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 1/20 | 0.45 |
| ▸ | DHFR | P00374 | 4/20 | 0.44 |
| ▸ | PDE4A | P27815 | 1/20 | 0.44 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.44 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.44 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 2/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | CA9 | Q16790 | 1/20 | 0.43 |
| ▸ | TUBB4A | P04350 | 2/20 | 0.41 |
| ▸ | TUBB | P07437 | 2/20 | 0.41 |
| ▸ | TUBA3C | P0DPH7 | 2/20 | 0.41 |
| ▸ | TUBA1B | P68363 | 2/20 | 0.41 |
| ▸ | TUBA4A | P68366 | 2/20 | 0.41 |
| ▸ | TUBB4B | P68371 | 2/20 | 0.41 |
| ▸ | TUBB3 | Q13509 | 2/20 | 0.41 |
| ▸ | TUBB2A | Q13885 | 2/20 | 0.41 |
| ▸ | TUBB8 | Q3ZCM7 | 2/20 | 0.41 |
| ▸ | TUBA3E | Q6PEY2 | 2/20 | 0.41 |
| ▸ | TUBA1A | Q71U36 | 2/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL9039805 | 0.81 | DHFR (0.47) | ACHEDHFRPDE4APDE4BPDE4C | |
| SCHEMBL910636 | 0.80 | MAPT (0.47) | ACHEDHFRMAPTCYP3A4CA9 | |
| SCHEMBL10766570 | 0.80 | MAPT (0.47) | ACHEDHFRMAPTCYP3A4CA9 | |
| SCHEMBL4036492 | 0.80 | ACHE (0.45) | ACHEDHFRMAPTCYP3A4CA9 | |
| SCHEMBL4044841 | 0.80 | ACHE (0.45) | ACHEDHFRMAPTCYP3A4CA9 | |
| SCHEMBL3953279 | 0.80 | ACHE (0.45) | ACHEDHFRMAPTCYP3A4CA9 | |
| SCHEMBL27819446 | 0.78 | TUBB4A (0.47) | ACHEDHFRPDE4APDE4BPDE4C | |
| SCHEMBL9841161 | 0.78 | ACHE (0.55) | ACHEPDE4APDE4BPDE4CPDE4D | |
| SCHEMBL27819448 | 0.78 | TUBB4A (0.47) | ACHEDHFRPDE4APDE4BPDE4C | |
| Hydrochloric Acid SCHEMBL5742931 | 0.77 | PTGS2 (0.42) | ACHEPDE4APDE4BPDE4CPDE4D |
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 |
|---|---|---|---|---|---|---|---|
| EP-0001633-A1 | Processes for preparing tri-heterocyclic substituted methanes and their conversion into further intermediates useful in the preparation of pharmacologically active compounds | THE WELLCOME FOUNDATION LIMITED (GB) | 1979-05-02 | — | — | EP | disclosed |