Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EGFR | P00533 | 4/20 | 0.55 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.52 |
| ▸ | PIK3R1 | P27986 | 1/20 | 0.52 |
| ▸ | DNMT1 | P26358 | 4/20 | 0.50 |
| ▸ | DNMT3A | Q9Y6K1 | 4/20 | 0.50 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.49 |
| ▸ | AURKA | O14965 | 1/20 | 0.49 |
| ▸ | LMNA | P02545 | 2/20 | 0.48 |
| ▸ | APP | P05067 | 1/20 | 0.48 |
| ▸ | HTT | P42858 | 1/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.44 |
| ▸ | S1PR2 | O95136 | 1/20 | 0.44 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.44 |
| ▸ | TP53 | P04637 | 2/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | TMIGD3 | P0DMS9 | 1/20 | 0.41 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.41 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 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 | |
|---|---|---|---|---|
| SCHEMBL17994857 | 0.86 | EGFR (0.61) | EGFRPIK3CDPIK3R1DNMT1DNMT3A | |
| SCHEMBL17994858 | 0.82 | EGFR (0.58) | EGFRPIK3CDPIK3R1DNMT1DNMT3A | |
| SCHEMBL16596382 | 0.82 | PIK3CD (0.60) | EGFRPIK3CDPIK3R1DNMT1DNMT3A | |
| SCHEMBL16586076 | 0.81 | PIK3CD (0.58) | EGFRPIK3CDPIK3R1DNMT1DNMT3A | |
| SCHEMBL16585469 | 0.78 | EGFR (0.48) | EGFRPIK3CDPIK3R1DNMT1DNMT3A | |
| SCHEMBL17994889 | 0.78 | DNMT3A (0.67) | EGFRPIK3CDPIK3R1DNMT1DNMT3A | |
| SCHEMBL17994863 | 0.77 | DNMT3A (0.66) | EGFRPIK3CDPIK3R1DNMT1DNMT3A | |
| SCHEMBL18103414 | 0.76 | PIK3CD (0.62) | EGFRPIK3CDPIK3R1MAPK1AURKA | |
| SCHEMBL16596213 | 0.75 | DNMT3A (0.64) | EGFRPIK3CDPIK3R1DNMT1DNMT3A | |
| SCHEMBL19563559 | 0.75 | AURKA (0.51) | EGFRPIK3CDPIK3R1DNMT1DNMT3A |
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-3046917-B1 | QUINAZOLINE DERIVATIVES AND THEIR USE AS DNA METHYLTRANSFERASE INHIBITORS | PF MEDICAMENT (FR) | 2017-11-08 | — | — | EP | disclosed |
| WO-2015040169-A1 | QUINAZOLINE DERIVATIVES AND THEIR USE AS DNA METHYLTRANSFERASE INHIBITORS | PIERRE FABRE MEDICAMENT (FR) | 2015-03-26 | — | — | WO | disclosed |
| US-8952016-B2 | Substituted xanthine derivatives | CONCERT PHARMACEUTICALS, INC. (US) | 2015-02-10 | — | — | US | disclosed |