Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KIF11 | P52732 | 2/20 | 0.35 |
| ▸ | CA1 | P00915 | 7/20 | 0.34 |
| ▸ | CA2 | P00918 | 7/20 | 0.34 |
| ▸ | CA7 | P43166 | 7/20 | 0.34 |
| ▸ | CA13 | Q8N1Q1 | 7/20 | 0.34 |
| ▸ | CA12 | O43570 | 6/20 | 0.34 |
| ▸ | CA6 | P23280 | 6/20 | 0.34 |
| ▸ | NPC1 | O15118 | 2/20 | 0.34 |
| ▸ | RAB9A | P51151 | 2/20 | 0.34 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.34 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.34 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.34 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.34 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | CA9 | Q16790 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL675929 | 0.83 | MAP2 (0.36) | KIF11CA1CA2CA7CA13 | |
| Diethylamine SCHEMBL3664811 | 0.82 | HDAC3 (0.35) | KIF11CA1CA2CA7CA13 | |
| SCHEMBL3665277 | 0.82 | MAPT (0.33) | KIF11NPC1RAB9AHDAC3HDAC1 | |
| SCHEMBL3665281 | 0.81 | KDM4E (0.39) | HDAC3HDAC1HDAC2HDAC6HDAC5 | |
| SCHEMBL675224 | 0.81 | ALDH1A1 (0.38) | CA1CA2CA7CA13NPC1 | |
| SCHEMBL3668534 | 0.80 | ERBB2 (0.42) | CA1CA2CA7CA13CA12 | |
| SCHEMBL678686 | 0.80 | TERT (0.35) | RAB9AHDAC3HDAC1HDAC2HDAC6 | |
| SCHEMBL3665280 | 0.79 | KIF11 (0.34) | KIF11NPC1RAB9AHDAC3HDAC1 | |
| SCHEMBL675108 | 0.78 | CA1 (0.46) | CA1CA2CA7CA13NPC1 | |
| SCHEMBL676048 | 0.77 | GSK3B (0.41) | KIF11RAB9ACYP1A2CYP2C19MEN1 |
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 |