Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 5/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | MAPT | P10636 | 3/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | ATM | Q13315 | 1/20 | 0.37 |
| ▸ | KAT2B | Q92831 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | SNCA | P37840 | 1/20 | 0.36 |
| ▸ | GPR35 | Q9HC97 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 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 | |
|---|---|---|---|---|
| SCHEMBL16961286 | 0.85 | PDK1 (0.51) | TSHRCYP3A4PDK1ALDH1A1MAPT | |
| SCHEMBL8199190 | 0.83 | TSHR (0.56) | TSHRCYP3A4ALDH1A1MAPTPOLB | |
| SCHEMBL11404158 | 0.80 | ALDH1A1 (0.41) | TSHRCYP3A4ALDH1A1MAPTPOLB | |
| SCHEMBL13344089 | 0.78 | KAT2B (0.48) | TSHRCYP3A4PDK1ALDH1A1MAPT | |
| SCHEMBL6830861 | 0.78 | GPR35 (0.55) | TSHRCYP3A4ALDH1A1MAPTPOLB | |
| SCHEMBL7193090 | 0.78 | TSHR (0.64) | TSHRCYP3A4PDK1ALDH1A1MAPT | |
| SCHEMBL16961402 | 0.78 | PDK1 (0.42) | TSHRCYP3A4PDK1ALDH1A1MAPT | |
| SCHEMBL5178027 | 0.77 | TSHR (0.56) | TSHRCYP3A4ALDH1A1MAPTPOLB | |
| Potassium Ion SCHEMBL10831637 | 0.77 | TSHR (0.42) | TSHRCYP3A4PDK1ALDH1A1MAPT | |
| SCHEMBL310839 | 0.77 | TDP1 (0.60) | TSHRCYP3A4PDK1ALDH1A1MAPT |
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-1392312-A1 | TRIAZOLO 4,5-d] PYRIMIDINE DERIVATIVES AND THEIR USE AS PURINERGIC RECEPTOR ANTAGONISTS | VERNALIS RESEARCH LIMITED (GB) | 2004-03-03 | — | — | EP | disclosed |
| WO-2002055083-A1 | TRIAZOLO[4,5-d] PYRIMIDINE DERIVATIVES AND THEIR USE AS PURINERGIC RECEPTOR ANTAGONISTS | VERNALIS RESEARCH LIMITED (GB) | 2002-07-18 | — | — | WO | disclosed |