Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PKM | P14618 | 3/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | HDAC6 | Q9UBN7 | 4/20 | 0.37 |
| ▸ | HDAC3 | O15379 | 3/20 | 0.37 |
| ▸ | HDAC4 | P56524 | 3/20 | 0.37 |
| ▸ | HDAC1 | Q13547 | 3/20 | 0.37 |
| ▸ | HDAC7 | Q8WUI4 | 3/20 | 0.37 |
| ▸ | HDAC2 | Q92769 | 3/20 | 0.37 |
| ▸ | HDAC10 | Q969S8 | 3/20 | 0.37 |
| ▸ | HDAC11 | Q96DB2 | 3/20 | 0.37 |
| ▸ | HDAC8 | Q9BY41 | 3/20 | 0.37 |
| ▸ | HDAC9 | Q9UKV0 | 3/20 | 0.37 |
| ▸ | HDAC5 | Q9UQL6 | 3/20 | 0.37 |
| ▸ | LMNA | P02545 | 3/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | MAPT | P10636 | 2/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL674897 | 0.85 | PKM (0.41) | PKMMAPK1HDAC6HDAC3HDAC4 | |
| SCHEMBL3666836 | 0.83 | PKM (0.42) | PKMMAPK1HDAC6HDAC3HDAC4 | |
| SCHEMBL675224 | 0.82 | ALDH1A1 (0.38) | PKMHDAC6HDAC3HDAC1HDAC2 | |
| SCHEMBL675108 | 0.81 | CA1 (0.46) | PKMMAPK1LMNAALDH1A1MAPT | |
| SCHEMBL3665281 | 0.80 | KDM4E (0.39) | MAPK1HDAC6HDAC3HDAC4HDAC1 | |
| SCHEMBL678686 | 0.78 | TERT (0.35) | HDAC6HDAC3HDAC4HDAC1HDAC7 | |
| SCHEMBL675624 | 0.77 | ALDH1A1 (0.49) | PKMLMNAALDH1A1MAPTSMN1; SMN2 | |
| Diethylamine SCHEMBL3664811 | 0.77 | HDAC3 (0.35) | PKMHDAC6HDAC3HDAC4HDAC1 | |
| SCHEMBL3665277 | 0.77 | MAPT (0.33) | PKMHDAC6HDAC3HDAC1HDAC2 | |
| SCHEMBL3665283 | 0.76 | KIF11 (0.35) | HDAC6HDAC3HDAC1HDAC2HDAC5 |
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 |