Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC3 | O15379 | 2/20 | 0.52 |
| ▸ | HDAC4 | P56524 | 2/20 | 0.52 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.52 |
| ▸ | HDAC7 | Q8WUI4 | 2/20 | 0.52 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.52 |
| ▸ | HDAC10 | Q969S8 | 2/20 | 0.52 |
| ▸ | HDAC11 | Q96DB2 | 2/20 | 0.52 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.52 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.52 |
| ▸ | HDAC9 | Q9UKV0 | 2/20 | 0.52 |
| ▸ | HDAC5 | Q9UQL6 | 2/20 | 0.52 |
| ▸ | SIGMAR1 | Q99720 | 4/20 | 0.50 |
| ▸ | MEN1 | O00255 | 2/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.46 |
| ▸ | POLB | P06746 | 1/20 | 0.46 |
| ▸ | ACHE | P22303 | 4/20 | 0.45 |
| ▸ | BACE1 | P56817 | 4/20 | 0.45 |
| ▸ | BCHE | P06276 | 3/20 | 0.45 |
| ▸ | SLC6A12 | P48065 | 1/20 | 0.43 |
| ▸ | HTR1A | P08908 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL3709881 | 0.84 | SIGMAR1 (0.54) | HDAC3HDAC4HDAC1HDAC7HDAC2 | |
| SCHEMBL16496003 | 0.82 | IDO1 (0.49) | MEN1KMT2A | |
| SCHEMBL1175163 | 0.76 | HDAC3 (0.66) | HDAC3HDAC4HDAC1HDAC7HDAC2 | |
| SCHEMBL16495736 | 0.73 | IDO1 (0.47) | MEN1KMT2A | |
| SCHEMBL2128964 | 0.73 | HDAC3 (0.79) | HDAC3HDAC4HDAC1HDAC7HDAC2 | |
| SCHEMBL2128960 | 0.73 | HDAC3 (0.79) | HDAC3HDAC4HDAC1HDAC7HDAC2 | |
| SCHEMBL16496610 | 0.69 | KMT2A (0.47) | HDAC3HDAC4HDAC1HDAC7HDAC2 | |
| SCHEMBL11390168 | 0.68 | SIGMAR1 (0.45) | SIGMAR1MEN1KMT2AHTR1AADRA1D | |
| SCHEMBL16495742 | 0.68 | TRPM8 (0.47) | — | |
| SCHEMBL12481588 | 0.68 | HTT (0.51) | KMT2APOLB |
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 |
|---|---|---|---|---|---|---|---|
| EP-2398809-A1 | NOVEL SPIRO COMPOUNDS USEFUL AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE | Merck Canada Inc. (CA) | 2011-12-28 | — | — | EP | disclosed |
| WO-2010094120-A1 | NOVEL SPIRO COMPOUNDS USEFUL AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE | MERCK FROSST CANADA LTD. (CA) | 2010-08-26 | — | — | WO | disclosed |