Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ERBB2 | P04626 | 7/20 | 0.74 |
| ▸ | EGFR | P00533 | 6/20 | 0.74 |
| ▸ | LCK | P06239 | 1/20 | 0.74 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.64 |
| ▸ | RORC | P51449 | 3/20 | 0.62 |
| ▸ | GRM4 | Q14833 | 1/20 | 0.59 |
| ▸ | STK3 | Q13188 | 1/20 | 0.56 |
| ▸ | P2RX4 | Q99571 | 1/20 | 0.54 |
| ▸ | AURKA | O14965 | 1/20 | 0.54 |
| ▸ | RPS6KB1 | P23443 | 1/20 | 0.54 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.53 |
| ▸ | ESRRA | P11474 | 1/20 | 0.53 |
| ▸ | SYK | P43405 | 1/20 | 0.53 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.53 |
| ▸ | INCENP | Q9NQS7 | 1/20 | 0.53 |
| ▸ | ERBB3 | P21860 | 1/20 | 0.53 |
| ▸ | ERBB4 | Q15303 | 1/20 | 0.53 |
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 | |
|---|---|---|---|---|
| SCHEMBL31084744 | 1.00 | ERBB2 (0.74) | ERBB2EGFRLCKALDH1A1RORC | |
| SCHEMBL30623172 | 0.90 | EGFR (0.63) | ERBB2EGFRLCKALDH1A1RORC | |
| SCHEMBL17601202 | 0.90 | EGFR (0.63) | ERBB2EGFRLCKALDH1A1RORC | |
| SCHEMBL9719826 | 0.87 | EGFR (0.59) | ERBB2EGFRLCKGRM4P2RX4 | |
| SCHEMBL30053083 | 0.86 | GRM4 (0.60) | ERBB2EGFRLCKGRM4P2RX4 | |
| SCHEMBL11893942 | 0.85 | EGFR (0.58) | ERBB2EGFRLCKGRM4P2RX4 | |
| SCHEMBL31084742 | 0.85 | EGFR (0.70) | ERBB2EGFRLCKGRM4P2RX4 | |
| SCHEMBL6979593 | 0.83 | ERBB2 (0.59) | ERBB2EGFRLCKGRM4STK3 | |
| SCHEMBL4619423 | 0.83 | EGFR (0.55) | ERBB2EGFRLCKGRM4STK3 | |
| SCHEMBL6957850 | 0.82 | ERBB2 (0.56) | ERBB2EGFRLCKAURKARPS6KB1 |
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 |
|---|---|---|---|---|---|---|---|
| US-5157039-A | Lipoxygenase inhibitors | LEO PHARMACEUTICAL PRODUCTS LTD. (DK) | 1992-10-20 | — | — | US | disclosed |
| US-5109009-A | QUINOLINE AND PYRIDINE COMPOUNDS AND INHIBITION OF 5-LIPOXYGENASES THEREWITH | LEO PHARMACEUTICAL PRODUCTS LTD. (DK) | 1992-04-28 | — | — | US | disclosed |
| US-4826987-A | Pyridyl and quinoline derivatives | LEO PHARMACEUTICAL PRODUCTS LTD. (DK) | 1989-05-02 | — | — | US | disclosed |