Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDH1 | O75874 | 2/20 | 0.55 |
| ▸ | KCNN3 | Q9UGI6 | 1/20 | 0.54 |
| ▸ | NUDT1 | P36639 | 1/20 | 0.46 |
| ▸ | HTR7 | P34969 | 6/20 | 0.46 |
| ▸ | HDAC3 | O15379 | 3/20 | 0.44 |
| ▸ | HDAC1 | Q13547 | 3/20 | 0.44 |
| ▸ | HDAC2 | Q92769 | 3/20 | 0.44 |
| ▸ | HDAC6 | Q9UBN7 | 3/20 | 0.44 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.44 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.44 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.44 |
| ▸ | KCNH3 | Q9ULD8 | 2/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | GRK6 | P43250 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL7018923 | 0.90 | IDH1 (0.51) | IDH1KCNN3NUDT1HTR7HDAC3 | |
| SCHEMBL1369836 | 0.86 | GRK6 (0.46) | IDH1KCNN3KCNH3GRK6 | |
| SCHEMBL1369837 | 0.86 | GRK6 (0.46) | IDH1KCNN3KCNH3GRK6 | |
| SCHEMBL4388171 | 0.84 | GAA (0.53) | IDH1KCNN3HTR7HDAC3HDAC1 | |
| SCHEMBL10480049 | 0.84 | GAA (0.53) | IDH1KCNN3HTR7HDAC3HDAC1 | |
| SCHEMBL1365887 | 0.83 | NTRK1 (0.50) | HTR7ADRA1DADRA1AADRA1BKCNH3 | |
| SCHEMBL1365884 | 0.83 | NTRK1 (0.50) | HTR7ADRA1DADRA1AADRA1BKCNH3 | |
| SCHEMBL7014490 | 0.81 | HTR7 (0.59) | IDH1HTR7ADRA1DADRA1AADRA1B | |
| SCHEMBL14830994 | 0.79 | IDH1 (0.54) | IDH1NUDT1HTR7HDAC3HDAC1 | |
| SCHEMBL14830995 | 0.79 | IDH1 (0.54) | IDH1NUDT1HTR7HDAC3HDAC1 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1206265-B1 | SRC KINASE INHIBITOR COMPOUNDS | MERCK & CO INC (US) | 2003-11-12 | — | — | EP | disclosed |
| US-6498165-B1 | PYRIMIDINE COMPOUNDS; PROPHYLAXIS AND TREATMENT OF SUCH AS IMMUNE DISEASES, HYPERPROLIFERATIVE DISORDERS, CANCER, ANGIOGENSIS, ATHEROSCELEROSIS, GRAFT REJECTION, RHEUMATOID ARTHRITIS, PSORIASIS | MERCK & CO., INC. | 2002-12-24 | — | — | US | disclosed |
| EP-1206265-A4 | SRC KINASE INHIBITOR COMPOUNDS | MERCK & CO INC (US) | 2002-08-07 | — | — | EP | disclosed |
| EP-1206265-A1 | SRC KINASE INHIBITOR COMPOUNDS | Merck & Co., Inc. (US) | 2002-05-22 | — | — | EP | disclosed |
| WO-2001000213-A1 | SRC KINASE INHIBITOR COMPOUNDS | MERCK & CO., INC. (US) | 2001-01-04 | — | — | WO | disclosed |