Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 3/20 | 0.51 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.43 |
| ▸ | HDAC4 | P56524 | 2/20 | 0.43 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.43 |
| ▸ | HDAC7 | Q8WUI4 | 2/20 | 0.43 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.43 |
| ▸ | HDAC10 | Q969S8 | 2/20 | 0.43 |
| ▸ | HDAC11 | Q96DB2 | 2/20 | 0.43 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.43 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.43 |
| ▸ | HDAC9 | Q9UKV0 | 2/20 | 0.43 |
| ▸ | HDAC5 | Q9UQL6 | 2/20 | 0.43 |
| ▸ | SIRT2 | Q8IXJ6 | 2/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | CASP3 | P42574 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.43 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL19746322 | 1.00 | CYP19A1 (0.51) | CYP19A1NPC1RAB9AHDAC3HDAC4 | |
| SCHEMBL13880394 | 0.80 | CYP19A1 (0.54) | CYP19A1NPC1RAB9AHDAC3HDAC4 | |
| SCHEMBL19746325 | 0.79 | CYP19A1 (0.52) | CYP19A1NPC1RAB9AHDAC3HDAC4 | |
| SCHEMBL3104273 | 0.77 | HDAC6 (0.52) | CYP19A1NPC1RAB9AHDAC3HDAC4 | |
| SCHEMBL13880393 | 0.76 | CYP19A1 (0.62) | CYP19A1NPC1RAB9AHDAC3HDAC4 | |
| SCHEMBL22510634 | 0.73 | CYP19A1 (0.82) | CYP19A1NPC1RAB9AHDAC3HDAC4 | |
| SCHEMBL13880426 | 0.73 | CYP19A1 (0.57) | CYP19A1NPC1RAB9AHDAC3HDAC4 | |
| SCHEMBL19746055 | 0.72 | CYP19A1 (0.56) | CYP19A1NPC1RAB9AHDAC3HDAC4 | |
| SCHEMBL13880400 | 0.71 | CYP19A1 (0.55) | CYP19A1NPC1RAB9AHDAC3HDAC4 | |
| SCHEMBL13880430 | 0.71 | CYP19A1 (0.55) | CYP19A1NPC1RAB9AHDAC3HDAC4 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2017222950-A1 | 3-HETEROCYCLYL SUBSTITUTED 5-TRIFLUOROMETHYL OXADIAZOLES AS HISTONE DEACETYLASE 6 (HDAC6) INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2017-12-28 | — | — | WO | disclosed |