Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TP53 | P04637 | 7/20 | 0.41 |
| ▸ | MAPT | P10636 | 5/20 | 0.41 |
| ▸ | HDAC3 | O15379 | 5/20 | 0.40 |
| ▸ | HDAC4 | P56524 | 5/20 | 0.40 |
| ▸ | HDAC1 | Q13547 | 5/20 | 0.40 |
| ▸ | HDAC7 | Q8WUI4 | 5/20 | 0.40 |
| ▸ | HDAC2 | Q92769 | 5/20 | 0.40 |
| ▸ | HDAC10 | Q969S8 | 5/20 | 0.40 |
| ▸ | HDAC11 | Q96DB2 | 5/20 | 0.40 |
| ▸ | HDAC8 | Q9BY41 | 5/20 | 0.40 |
| ▸ | HDAC6 | Q9UBN7 | 5/20 | 0.40 |
| ▸ | HDAC9 | Q9UKV0 | 5/20 | 0.40 |
| ▸ | HDAC5 | Q9UQL6 | 5/20 | 0.40 |
| ▸ | SRC | P12931 | 2/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.37 |
| ▸ | IP6K1 | Q92551 | 2/20 | 0.37 |
| ▸ | HTR2A | P28223 | 1/20 | 0.37 |
| ▸ | RECQL | P46063 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL676108 | 0.92 | HTR2A (0.43) | TP53MAPTSRCSMN1; SMN2HTR2A | |
| SCHEMBL3665213 | 0.91 | HDAC3 (0.44) | TP53MAPTHDAC3HDAC4HDAC1 | |
| SCHEMBL678710 | 0.87 | TP53 (0.40) | TP53MAPTHDAC3HDAC4HDAC1 | |
| SCHEMBL674753 | 0.87 | TP53 (0.40) | TP53MAPTHDAC3HDAC4HDAC1 | |
| SCHEMBL676122 | 0.84 | HTR6 (0.42) | MAPTHDAC3HDAC4HDAC1HDAC7 | |
| SCHEMBL678792 | 0.84 | HTR6 (0.42) | MAPTHDAC3HDAC4HDAC1HDAC7 | |
| SCHEMBL3724852 | 0.80 | PSEN1 (0.38) | TP53MAPTHDAC3HDAC4HDAC1 | |
| SCHEMBL3724854 | 0.80 | PSEN1 (0.38) | TP53MAPTHDAC3HDAC4HDAC1 | |
| SCHEMBL675181 | 0.80 | NFE2L2 (0.40) | TP53MAPTHDAC3HDAC4HDAC1 | |
| SCHEMBL676360 | 0.79 | HDAC3 (0.44) | TP53MAPTHDAC3HDAC4HDAC1 |
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 |