Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EGFR | P00533 | 10/20 | 0.74 |
| ▸ | BTK | Q06187 | 3/20 | 0.74 |
| ▸ | NPC1 | O15118 | 1/20 | 0.53 |
| ▸ | RAB9A | P51151 | 1/20 | 0.53 |
| ▸ | AURKB | Q96GD4 | 4/20 | 0.51 |
| ▸ | AURKA | O14965 | 2/20 | 0.51 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.51 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.51 |
| ▸ | KIT | P10721 | 1/20 | 0.49 |
| ▸ | FYN | P06241 | 1/20 | 0.49 |
| ▸ | SRC | P12931 | 1/20 | 0.49 |
| ▸ | INCENP | Q9NQS7 | 1/20 | 0.49 |
| ▸ | DNMT1 | P26358 | 1/20 | 0.49 |
| ▸ | ERBB2 | P04626 | 2/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL17683823 | 0.86 | EGFR (0.72) | EGFRBTKAURKBAURKAHDAC3 | |
| SCHEMBL17675187 | 0.85 | DNMT1 (0.66) | EGFRBTKNPC1RAB9AHDAC3 | |
| SCHEMBL17675258 | 0.85 | EGFR (1.00) | EGFRBTKFYNSRCERBB2 | |
| SCHEMBL17675186 | 0.85 | EGFR (0.68) | EGFRBTKNPC1RAB9AKIT | |
| SCHEMBL17675332 | 0.81 | BTK (0.70) | EGFRBTKNPC1RAB9A | |
| SCHEMBL17675224 | 0.79 | EGFR (0.70) | EGFRBTKAURKBAURKAERBB2 | |
| SCHEMBL17675298 | 0.79 | EGFR (0.67) | EGFRBTKHDAC3HDAC1ERBB2 | |
| SCHEMBL3365984 | 0.77 | RAB9A (0.83) | NPC1RAB9A | |
| SCHEMBL17675397 | 0.77 | BTK (0.70) | EGFRBTKAURKBAURKAERBB2 | |
| SCHEMBL27758514 | 0.77 | FYN (0.70) | EGFRBTKAURKBAURKAHDAC3 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2016055982-A1 | QUINOLINE AND QUINAZOLINE COMPOUNDS | ACERTA PHARMA B.V. (NL) | 2016-04-14 | — | — | WO | disclosed |
| WO-2016055982-A1 | QUINOLINE AND QUINAZOLINE COMPOUNDS | ACERTA PHARMA B.V. (NL) | 2016-04-14 | — | — | WO | disclosed |