Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BTK | Q06187 | 1/20 | 0.41 |
| ▸ | EGFR | P00533 | 12/20 | 0.40 |
| ▸ | ERBB2 | P04626 | 2/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.39 |
| ▸ | AURKA | O14965 | 2/20 | 0.39 |
| ▸ | RPS6KB1 | P23443 | 2/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | VNN1 | O95497 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.38 |
| ▸ | LCK | P06239 | 1/20 | 0.38 |
| ▸ | USP2 | O75604 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL6325464 | 0.86 | BTK (0.40) | BTKEGFRERBB2AURKARPS6KB1 | |
| SCHEMBL6332621 | 0.84 | BTK (0.39) | BTKEGFRERBB2KDM4EAURKA | |
| Hydrochloric Acid SCHEMBL6324371 | 0.74 | HPGD (0.44) | EGFRALDH1A1SMN1; SMN2AURKARPS6KB1 | |
| Hydrochloric Acid SCHEMBL6324987 | 0.73 | F10 (0.39) | EGFRKDM4EALDH1A1SMN1; SMN2NPSR1 | |
| Hydrochloric Acid SCHEMBL6321548 | 0.71 | PDE5A (0.37) | EGFRKDM4EALDH1A1SMN1; SMN2NPSR1 | |
| SCHEMBL6332101 | 0.70 | CDK1 (0.39) | HPGDVNN1NPC1RAB9A | |
| SCHEMBL6329307 | 0.68 | HPGD (0.40) | EGFRKDM4EALDH1A1SMN1; SMN2AURKA | |
| Hydrochloric Acid SCHEMBL6322311 | 0.68 | EGFR (0.40) | EGFRKDM4EALDH1A1SMN1; SMN2AURKA | |
| SCHEMBL8306090 | 0.67 | VNN1 (0.40) | HPGDVNN1NPC1RAB9A | |
| SCHEMBL6323907 | 0.67 | CDK1 (0.50) | AURKARPS6KB1 |
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-2004080970-A1 | NOVEL BICYCLIC AROMATIC COMPOUNDS, THE PRODUCTION AND USE THEREOF IN THE FORM OF DRUGS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2004-09-23 | — | — | WO | disclosed |