Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.47 |
| ▸ | ATM | Q13315 | 1/20 | 0.47 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.45 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.45 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | CSF1R | P07333 | 2/20 | 0.42 |
| ▸ | NTRK2 | Q16620 | 2/20 | 0.42 |
| ▸ | NTRK1 | P04629 | 1/20 | 0.42 |
| ▸ | NTRK3 | Q16288 | 1/20 | 0.42 |
| ▸ | DHFR | P00374 | 2/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | TYMP | P19971 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL6945088 | 0.86 | CYP1A2 (0.48) | CYP2D6POLBLMNAKMT2A | |
| SCHEMBL7077175 | 0.85 | DHFR (0.59) | GRIN1GRIN2BDHFR | |
| SCHEMBL4237789 | 0.83 | GRIN1 (0.46) | ALDH1A1CYP2D6ATMGRIN1GRIN2B | |
| SCHEMBL6946589 | 0.81 | MAPT (0.37) | CYP2D6POLBLMNA | |
| SCHEMBL986239 | 0.81 | GRIN1 (0.47) | ALDH1A1CYP2D6ATMGRIN1GRIN2B | |
| SCHEMBL6947942 | 0.76 | EGFR (0.43) | CYP2D6POLBDHFR | |
| SCHEMBL13607772 | 0.75 | GRIN1 (0.47) | ATMGRIN1GRIN2BNPSR1POLB | |
| SCHEMBL6948621 | 0.75 | PNP (0.47) | CYP2D6POLBLMNA | |
| SCHEMBL6950771 | 0.73 | CYP3A4 (0.39) | CYP2D6POLBLMNA | |
| SCHEMBL6939915 | 0.73 | DHFR (0.56) | LMNADHFRKMT2A |
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 |