Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.55 |
| ▸ | PKM | P14618 | 1/20 | 0.55 |
| ▸ | TPSAB1 | Q15661 | 4/20 | 0.54 |
| ▸ | F2 | P00734 | 2/20 | 0.54 |
| ▸ | PLG | P00747 | 2/20 | 0.54 |
| ▸ | PRSS1 | P07477 | 2/20 | 0.54 |
| ▸ | PRSS2 | P07478 | 2/20 | 0.54 |
| ▸ | PRSS3 | P35030 | 2/20 | 0.54 |
| ▸ | TPSD1 | Q9BZJ3 | 2/20 | 0.54 |
| ▸ | TPSG1 | Q9NRR2 | 2/20 | 0.54 |
| ▸ | HDAC3 | O15379 | 5/20 | 0.53 |
| ▸ | HDAC6 | Q9UBN7 | 5/20 | 0.53 |
| ▸ | HDAC4 | P56524 | 4/20 | 0.53 |
| ▸ | HDAC1 | Q13547 | 4/20 | 0.53 |
| ▸ | HDAC7 | Q8WUI4 | 4/20 | 0.53 |
| ▸ | HDAC2 | Q92769 | 4/20 | 0.53 |
| ▸ | HDAC10 | Q969S8 | 4/20 | 0.53 |
| ▸ | HDAC11 | Q96DB2 | 4/20 | 0.53 |
| ▸ | HDAC8 | Q9BY41 | 4/20 | 0.53 |
| ▸ | HDAC9 | Q9UKV0 | 4/20 | 0.53 |
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 | |
|---|---|---|---|---|
| SCHEMBL3435082 | 0.87 | KDM4E (0.54) | KDM4EPKMTPSAB1F2PLG | |
| SCHEMBL3123586 | 0.87 | KDM4E (0.54) | KDM4EPKMTPSAB1F2PLG | |
| SCHEMBL4492779 | 0.85 | MAPK14 (0.57) | HDAC3HDAC6HDAC4HDAC1HDAC7 | |
| SCHEMBL5362915 | 0.81 | HDAC6 (0.60) | KDM4EPKMHDAC3HDAC6HDAC4 | |
| SCHEMBL5368103 | 0.81 | TPSAB1 (0.71) | KDM4EPKMTPSAB1F2PLG | |
| SCHEMBL5371009 | 0.81 | PKM (0.51) | KDM4EPKMTPSAB1F2PLG | |
| SCHEMBL5367904 | 0.81 | ME2 (0.56) | KDM4EPKMTPSAB1F2PLG | |
| SCHEMBL8389571 | 0.80 | HDAC6 (0.68) | HDAC3HDAC6HDAC1HDAC2MEN1 | |
| SCHEMBL5371060 | 0.80 | HDAC3 (0.82) | HDAC3HDAC6HDAC4HDAC1HDAC7 | |
| SCHEMBL5364859 | 0.80 | SIGMAR1 (0.52) | KDM4EPKMHDAC3HDAC6HDAC4 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1399160-A4 | NR2B RECEPTOR ANTAGONISTS FOR THE TREATMENT OR PREVENTION OF MIGRAINES | MERCK & CO INC (US) | 2004-08-25 | — | — | EP | disclosed |
| EP-1399160-A2 | NR2B RECEPTOR ANTAGONISTS FOR THE TREATMENT OR PREVENTION OF MIGRAINES | Merck & Co., Inc. (US) | 2004-03-24 | — | — | EP | disclosed |
| WO-2002100352-A2 | NR2B RECEPTOR ANTAGONISTS FOR THE TREATMENT OR PREVENTION OF MIGRAINES | MERCK & CO., INC. (US) | 2002-12-19 | — | — | WO | disclosed |