Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ERBB2 | P04626 | 4/20 | 0.41 |
| ▸ | PTK6 | Q13882 | 3/20 | 0.41 |
| ▸ | UTS2R | Q9UKP6 | 2/20 | 0.38 |
| ▸ | ALK | Q9UM73 | 1/20 | 0.38 |
| ▸ | TLR9 | Q9NR96 | 4/20 | 0.37 |
| ▸ | TLR8 | Q9NR97 | 4/20 | 0.37 |
| ▸ | TLR7 | Q9NYK1 | 4/20 | 0.37 |
| ▸ | AURKA | O14965 | 1/20 | 0.35 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.35 |
| ▸ | MAP2K7 | O14733 | 1/20 | 0.34 |
| ▸ | PARP1 | P09874 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.32 |
| ▸ | MAPK3 | P27361 | 2/20 | 0.32 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.32 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.32 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.32 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.32 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL3668528 | 0.84 | ERBB2 (0.42) | ERBB2PTK6UTS2RALKTLR9 | |
| SCHEMBL676104 | 0.83 | KMT2A (0.36) | ERBB2PTK6UTS2RRAB9AHDAC3 | |
| SCHEMBL3664810 | 0.81 | MEN1 (0.33) | TLR9TLR8TLR7RAB9AHDAC3 | |
| SCHEMBL3668046 | 0.80 | ERBB2 (0.41) | ERBB2PTK6UTS2RALKTLR9 | |
| SCHEMBL675341 | 0.80 | TLR9 (0.50) | ERBB2PTK6UTS2RALKTLR9 | |
| Diethylamine SCHEMBL3668048 | 0.79 | ERBB2 (0.45) | ERBB2PTK6UTS2RALKTLR9 | |
| SCHEMBL3668527 | 0.79 | ERBB2 (0.42) | ERBB2PTK6UTS2RALKTLR9 | |
| SCHEMBL3668532 | 0.78 | TLR9 (0.42) | ERBB2PTK6UTS2RALKTLR9 | |
| SCHEMBL675507 | 0.77 | ERBB2 (0.47) | ERBB2PTK6UTS2RALKTLR9 | |
| SCHEMBL675345 | 0.76 | CA1 (0.47) | ERBB2PTK6ALKAURKAAURKB |
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 |
|---|---|---|---|---|---|---|---|
| US-8895744-B2 | Alfa-carboline inhibitors of NPM-ALK, RET, and Bcr-Abl | UNIVERSITA' DEGLI STUDI DI MILANO-BICOCCA (IT) | 2014-11-25 | — | — | US | disclosed |
| EP-2161271-A1 | Alpha-carboline inhibitors of NMP-ALK, RET, and Bcr-Abl | Università Degli Studi Di Milano - Bicocca (IT) | 2010-03-10 | — | — | EP | disclosed |