Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.51 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.51 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.51 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.51 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.51 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.51 |
| ▸ | NCOR2 | Q9Y618 | 1/20 | 0.51 |
| ▸ | HTR6 | P50406 | 1/20 | 0.47 |
| ▸ | POLB | P06746 | 2/20 | 0.47 |
| ▸ | RAD52 | P43351 | 1/20 | 0.47 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
| ▸ | PLK1 | P53350 | 1/20 | 0.45 |
| ▸ | LMNA | P02545 | 2/20 | 0.45 |
| ▸ | GLA | P06280 | 1/20 | 0.45 |
| ▸ | ACHE | P22303 | 1/20 | 0.45 |
| ▸ | HTR7 | P34969 | 1/20 | 0.44 |
| ▸ | CREBBP | Q92793 | 2/20 | 0.44 |
| ▸ | BRPF1 | P55201 | 1/20 | 0.44 |
| ▸ | BRD9 | Q9H8M2 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL15084333 | 0.84 | HTR7 (0.51) | POLBMEN1KMT2ALMNAHTR7 | |
| SCHEMBL15081962 | 0.81 | OPRL1 (0.48) | HDAC8HDAC6POLBMEN1KMT2A | |
| SCHEMBL807570 | 0.80 | ALDH1A1 (0.47) | HDAC8HDAC6HDAC3HDAC1HDAC2 | |
| SCHEMBL12301581 | 0.79 | CREBBP (0.52) | POLBMEN1KMT2AGLACREBBP | |
| SCHEMBL5961922 | 0.78 | LMNA (0.69) | HDAC8HDAC6HTR6LMNAGLA | |
| SCHEMBL24331530 | 0.76 | CREBBP (0.50) | POLBMEN1KMT2AGLACREBBP | |
| SCHEMBL23536600 | 0.75 | HTR6 (0.51) | HTR6POLBMEN1KMT2ACREBBP | |
| SCHEMBL31432746 | 0.75 | CDC25A (0.55) | POLBPLK1LMNACREBBPBRPF1 | |
| SCHEMBL10359905 | 0.75 | HTT (0.51) | HDAC6HDAC10POLBMEN1KMT2A | |
| SCHEMBL7182399 | 0.74 | CREBBP (0.48) | POLBMEN1KMT2AGLACREBBP |
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-2011163330-A1 | NOVEL HETEROCYCLIC COMPOUNDS AS ERK INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2011-12-29 | — | — | WO | disclosed |