Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 2/20 | 0.68 |
| ▸ | CACNA1I | Q9P0X4 | 2/20 | 0.68 |
| ▸ | HDAC6 | Q9UBN7 | 5/20 | 0.60 |
| ▸ | MLYCD | O95822 | 1/20 | 0.60 |
| ▸ | HDAC3 | O15379 | 4/20 | 0.59 |
| ▸ | HDAC4 | P56524 | 4/20 | 0.59 |
| ▸ | HDAC1 | Q13547 | 4/20 | 0.59 |
| ▸ | HDAC7 | Q8WUI4 | 4/20 | 0.59 |
| ▸ | HDAC2 | Q92769 | 4/20 | 0.59 |
| ▸ | HDAC10 | Q969S8 | 4/20 | 0.59 |
| ▸ | HDAC11 | Q96DB2 | 4/20 | 0.59 |
| ▸ | HDAC8 | Q9BY41 | 4/20 | 0.59 |
| ▸ | HDAC9 | Q9UKV0 | 4/20 | 0.59 |
| ▸ | HDAC5 | Q9UQL6 | 4/20 | 0.59 |
| ▸ | UBE2N | P61088 | 1/20 | 0.58 |
| ▸ | CCR2 | P41597 | 3/20 | 0.52 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.51 |
| ▸ | MEN1 | O00255 | 1/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.50 |
| ▸ | ACHE | P22303 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL5359305 | 0.86 | KCNH2 (0.73) | KCNH2CACNA1IHDAC6HDAC3HDAC4 | |
| SCHEMBL5364333 | 0.83 | TPSAB1 (0.66) | KCNH2CACNA1IHDAC6MLYCD | |
| SCHEMBL8315153 | 0.79 | HDAC3 (0.69) | KCNH2CACNA1IHDAC6HDAC3HDAC4 | |
| SCHEMBL5368811 | 0.77 | HDAC3 (0.64) | KCNH2CACNA1IHDAC6HDAC3HDAC4 | |
| SCHEMBL28361506 | 0.77 | KCNH2 (0.66) | KCNH2CACNA1IHDAC6HDAC3HDAC4 | |
| SCHEMBL6210549 | 0.77 | KCNH2 (0.69) | KCNH2CACNA1IHDAC6HDAC3HDAC4 | |
| SCHEMBL5368040 | 0.76 | CCR2 (0.69) | KCNH2CACNA1IHDAC6HDAC3HDAC4 | |
| SCHEMBL12093537 | 0.76 | MMP13 (0.61) | KCNH2CACNA1IHDAC6HDAC3HDAC4 | |
| SCHEMBL12965740 | 0.76 | CHRM4 (0.56) | KCNH2CACNA1IHDAC6HDAC3HDAC4 | |
| SCHEMBL178383 | 0.75 | MMP13 (0.71) | KCNH2CACNA1IHDAC6MLYCDHDAC3 |
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-1390034-A4 | N-SUBSTITUTED NONARYL-HETEROCYCLO AMIDYL NMDA/NR2B ANTAGONISTS | MERCK & CO INC (US) | 2005-07-13 | — | — | EP | disclosed |
| EP-1390034-A1 | N-SUBSTITUTED NONARYL-HETEROCYCLO AMIDYL NMDA/NR2B ANTAGONISTS | Merck & Co., Inc. (US) | 2004-02-25 | — | — | EP | disclosed |
| WO-2002080928-A1 | N-SUBSTITUTED NONARYL-HETEROCYCLO AMIDYL NMDA/NR2B ANTAGONISTS | MERCK & CO., INC. (US) | 2002-10-17 | — | — | WO | disclosed |