Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC3 | O15379 | 1/20 | 0.52 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.52 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.52 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.52 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.52 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.52 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.52 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.52 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.52 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.52 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.52 |
| ▸ | ERN1 | O75460 | 3/20 | 0.44 |
| ▸ | DYRK1A | Q13627 | 6/20 | 0.43 |
| ▸ | DYRK1B | Q9Y463 | 5/20 | 0.43 |
| ▸ | DYRK2 | Q92630 | 3/20 | 0.43 |
| ▸ | PRKCI | P41743 | 1/20 | 0.41 |
| ▸ | ACACB | O00763 | 1/20 | 0.40 |
| ▸ | OGA | O60502 | 1/20 | 0.40 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.39 |
| ▸ | CLK1 | P49759 | 3/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL5035148 | 0.87 | CHRM2 (0.42) | HDAC3HDAC4HDAC1HDAC7HDAC2 | |
| SCHEMBL3932913 | 0.81 | HDAC3 (0.52) | HDAC3HDAC4HDAC1HDAC7HDAC2 | |
| SCHEMBL27605523 | 0.81 | HDAC3 (0.52) | HDAC3HDAC4HDAC1HDAC7HDAC2 | |
| SCHEMBL27604524 | 0.80 | HDAC3 (0.49) | HDAC3HDAC4HDAC1HDAC7HDAC2 | |
| SCHEMBL9570604 | 0.77 | HDAC3 (0.49) | HDAC3HDAC4HDAC1HDAC7HDAC2 | |
| SCHEMBL12465725 | 0.75 | PKM (0.41) | PKMKCNH2MAPT | |
| SCHEMBL15173254 | 0.75 | NOTUM (0.39) | HDAC3HDAC4HDAC1HDAC7HDAC2 | |
| SCHEMBL27444135 | 0.75 | ALDH1A1 (0.50) | OGA | |
| SCHEMBL15174831 | 0.74 | PTGS1 (0.33) | — | |
| SCHEMBL801234 | 0.74 | HDAC3 (0.55) | HDAC3HDAC4HDAC1HDAC7HDAC2 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1507530-A1 | DIAMINOTHIAZOLES | F. HOFFMANN-LA ROCHE AG (CH) | 2005-02-23 | — | — | EP | disclosed |
| EP-1381363-A1 | IMIDAZO [1,2-A]-PYRIDINE DERIVATIVES AS MGLUR5 ANTAGONISTS | F. HOFFMANN-LA ROCHE AG (CH) | 2004-01-21 | — | — | EP | disclosed |
| WO-2003097048-A1 | DIAMINOTHIAZOLES | F. HOFFMANN-LA ROCHE AG (CH) | 2003-11-27 | — | — | WO | disclosed |
| WO-2002092086-A1 | IMIDAZO (1,2-A)-PYRIDINE DERIVATIVES AS MGLUR5 ANTAGONISTS | F. HOFFMANN-LA ROCHE AG (CH) | 2002-11-21 | — | — | WO | disclosed |