Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ERBB2 | P04626 | 7/20 | 0.47 |
| ▸ | PTK6 | Q13882 | 6/20 | 0.47 |
| ▸ | EGFR | P00533 | 2/20 | 0.45 |
| ▸ | IGF1R | P08069 | 2/20 | 0.45 |
| ▸ | ALK | Q9UM73 | 2/20 | 0.41 |
| ▸ | CHUK | O15111 | 1/20 | 0.40 |
| ▸ | ICOSLG | O75144 | 1/20 | 0.40 |
| ▸ | ICOS | Q9Y6W8 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | KCNQ3 | O43525 | 1/20 | 0.39 |
| ▸ | KCNQ2 | O43526 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | AURKA | O14965 | 1/20 | 0.38 |
| ▸ | AURKB | Q96GD4 | 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 | |
|---|---|---|---|---|
| SCHEMBL676374 | 0.88 | ERBB2 (0.47) | ERBB2PTK6EGFRIGF1RALK | |
| SCHEMBL3669225 | 0.85 | AURKA (0.47) | ERBB2PTK6EGFRIGF1RALK | |
| SCHEMBL676282 | 0.81 | MAPT (0.45) | CHUKICOSLGICOSMAPTSMN1; SMN2 | |
| SCHEMBL3666125 | 0.79 | KCNQ3 (0.42) | CHUKICOSLGICOSMAPTSMN1; SMN2 | |
| SCHEMBL675413 | 0.76 | NPC1 (0.39) | EGFRMAPTSMN1; SMN2MEN1NPC1 | |
| SCHEMBL676840 | 0.76 | AURKA (0.42) | ERBB2PTK6ALKNPC1RAB9A | |
| SCHEMBL674216 | 0.75 | ERBB2 (0.48) | ERBB2PTK6ALKMEN1NPC1 | |
| SCHEMBL3668987 | 0.74 | ALK (0.61) | ERBB2PTK6ALK | |
| SCHEMBL676137 | 0.73 | AURKA (0.50) | ERBB2PTK6ALKSMN1; SMN2RAB9A | |
| SCHEMBL674994 | 0.72 | ERBB2 (0.50) | 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 |