Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | EGFR | P00533 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | AR | P10275 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | PRKCQ | Q04759 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
| ▸ | MGMT | P16455 | 1/20 | 0.37 |
| ▸ | CLK1 | P49759 | 2/20 | 0.36 |
| ▸ | DHFR | P00374 | 1/20 | 0.36 |
| ▸ | RIPK1 | Q13546 | 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 | |
|---|---|---|---|---|
| SCHEMBL6949057 | 0.77 | RIPK1 (0.50) | MAPTEGFRALDH1A1TSHRRIPK1 | |
| SCHEMBL6944405 | 0.72 | F2 (0.48) | MAPTCYP1A2CYP3A4CYP2D6CYP2C19 | |
| SCHEMBL6948190 | 0.71 | KRAS (0.40) | MAPTEGFRDHFR | |
| SCHEMBL6948823 | 0.69 | HDAC6 (0.47) | MAPTEGFRCYP1A2ALDH1A1 | |
| SCHEMBL6948818 | 0.69 | CYP1A2 (0.50) | MAPTEGFRCYP1A2CYP3A4CYP2D6 | |
| SCHEMBL6950878 | 0.69 | RAB9A (0.53) | MAPTALDH1A1 | |
| SCHEMBL6946589 | 0.69 | MAPT (0.37) | MAPTCYP1A2CYP3A4CYP2D6CYP2C19 | |
| SCHEMBL301933 | 0.67 | ALDH1A1 (0.69) | ARALDH1A1TSHRL3MBTL1 | |
| SCHEMBL10842287 | 0.67 | AR (0.50) | MAPTCYP1A2CYP3A4CYP2C19AR | |
| SCHEMBL10956103 | 0.67 | ADRA2A (0.52) | CYP1A2CYP3A4CYP2D6CYP2C19AR |
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-1349857-A1 | PURINE DERIVATIVES AS PURINERGIC RECEPTOR ANTAGONISTS | VERNALIS RESEARCH LIMITED (GB) | 2003-10-08 | — | — | EP | disclosed |
| WO-2002055521-A1 | PURINE DERIVATIVES AS PURINERGIC RECEPTOR ANTAGONISTS | VERNALIS RESEARCH LIMITED (GB) | 2002-07-18 | — | — | WO | disclosed |