Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EGFR | P00533 | 3/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 5/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.43 |
| ▸ | CLK4 | Q9HAZ1 | 5/20 | 0.43 |
| ▸ | HIF1A | Q16665 | 4/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.43 |
| ▸ | TSHR | P16473 | 3/20 | 0.43 |
| ▸ | CSF1R | P07333 | 1/20 | 0.43 |
| ▸ | NUDT1 | P36639 | 1/20 | 0.43 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.41 |
| ▸ | PDGFRB | P09619 | 2/20 | 0.41 |
| ▸ | LMNA | P02545 | 3/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.41 |
| ▸ | USP2 | O75604 | 2/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.40 |
| ▸ | HTT | P42858 | 2/20 | 0.40 |
| ▸ | PDE5A | O76074 | 1/20 | 0.40 |
| ▸ | KDR | P35968 | 2/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL10072046 | 0.87 | NUDT1 (0.42) | EGFRMAPK1ALDH1A1CLK4HIF1A | |
| SCHEMBL14595182 | 0.72 | ALDH1A1 (0.65) | MAPK1ALDH1A1CLK4HIF1ACYP2C19 | |
| SCHEMBL3805071 | 0.72 | LMNA (0.54) | MAPK1ALDH1A1TSHRCHRM4LMNA | |
| SCHEMBL171792 | 0.71 | NOTUM (0.47) | TSHRNUDT1LMNACYP1A2HTT | |
| SCHEMBL14595394 | 0.70 | CHRM4 (0.58) | MAPK1ALDH1A1CLK4HIF1ACYP2C19 | |
| SCHEMBL8646161 | 0.70 | EGFR (0.48) | EGFRMAPK1ALDH1A1CLK4HIF1A | |
| SCHEMBL13351953 | 0.69 | PIK3CD (0.39) | EGFRCSF1RNUDT1LMNAHTT | |
| SCHEMBL10072172 | 0.68 | KDM4E (0.64) | MAPK1ALDH1A1CLK4HIF1ACYP2C19 | |
| SCHEMBL2918443 | 0.67 | HTT (0.70) | MAPK1ALDH1A1CLK4CYP2C19TSHR | |
| SCHEMBL24201767 | 0.67 | PIK3CD (0.35) | MAPK1ALDH1A1HIF1ALMNAKDM4E |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2012055466-A1 | QUINAZOLINE DERIVATIVES | MERCK PATENT GMBH (DE) | 2012-05-03 | — | — | WO | disclosed |