Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.38 |
| ▸ | SCN4A | P35499 | 8/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.36 |
| ▸ | LMNA | P02545 | 3/20 | 0.36 |
| ▸ | SCN8A | Q9UQD0 | 2/20 | 0.36 |
| ▸ | SCN1A | P35498 | 2/20 | 0.36 |
| ▸ | SCN5A | Q14524 | 2/20 | 0.36 |
| ▸ | SCN9A | Q15858 | 2/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.36 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | KCNK3 | O14649 | 1/20 | 0.36 |
| ▸ | CACNA1F | O60840 | 1/20 | 0.36 |
| ▸ | KCNK2 | O95069 | 1/20 | 0.36 |
| ▸ | GBA1 | P04062 | 1/20 | 0.36 |
| ▸ | MAOA | P21397 | 1/20 | 0.36 |
| ▸ | HTR2A | P28223 | 1/20 | 0.36 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.36 |
| ▸ | HTR2B | P41595 | 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 | |
|---|---|---|---|---|
| SCHEMBL11099556 | 0.83 | ALDH1A1 (0.45) | TSHRCYP2D6LMNACYP1A2CYP3A4 | |
| SCHEMBL11101599 | 0.81 | TSHR (0.38) | TSHRSCN4ACYP2D6LMNASCN8A | |
| SCHEMBL16233145 | 0.80 | GABRA1 (0.48) | TSHRSCN4ACYP2D6LMNASCN8A | |
| SCHEMBL11099853 | 0.80 | ESR1 (0.43) | TSHRKCNH2MEN1GAAMAPT | |
| SCHEMBL16815995 | 0.79 | SMN1; SMN2 (0.40) | TSHRLMNAHPGDKMT2A | |
| SCHEMBL11101399 | 0.77 | TAAR1 (0.43) | TSHRCYP2D6CYP3A4SLC6A4KCNH2 | |
| SCHEMBL4897798 | 0.76 | PDCD1 (0.41) | TSHRSCN4ACYP2D6LMNASCN8A | |
| SCHEMBL11123175 | 0.76 | SCN8A (0.40) | TSHRSCN4ACYP2D6LMNASCN8A | |
| SCHEMBL9802763 | 0.75 | NPSR1 (0.42) | TSHRLMNASLC6A4MEN1MAPT | |
| SCHEMBL1596373 | 0.75 | MEN1 (0.38) | TSHRLMNACYP3A4SLC6A4MEN1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0054132-B1 | PYRIMIDONES, THEIR PREPARATION AND MEDICINES CONTAINING THEM | Dr. Karl Thomae GmbH (DE) | 1984-10-10 | — | — | EP | disclosed |
| US-4379788-A | HYPOTENSIVES, ANTIARRHYTHMIA, B-BLOCKERS | DR. KARL THOMAE GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1983-04-12 | — | — | US | disclosed |
| EP-0054132-A1 | Pyrimidones, their preparation and medicines containing them | Dr. Karl Thomae GmbH (DE) | 1982-06-23 | — | — | EP | disclosed |