Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | PKM | P14618 | 1/20 | 0.39 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.39 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | OPRL1 | P41146 | 3/20 | 0.36 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.36 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.36 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.36 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.36 |
| ▸ | NPC1L1 | Q9UHC9 | 1/20 | 0.35 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL11073384 | 0.80 | NR1H2 (0.42) | KDM4EPKMHDAC1HDAC6OPRL1 | |
| SCHEMBL11087217 | 0.79 | HDAC1 (0.35) | KDM4EPKMHDAC1HDAC6CYP3A4 | |
| SCHEMBL11093077 | 0.73 | MAPK1 (0.44) | KDM4EPKMMAPK1NR1H2NR1H3 | |
| SCHEMBL11078707 | 0.73 | HTT (0.36) | HDAC1HDAC6SMN1; SMN2ALDH1A1OPRL1 | |
| SCHEMBL11072918 | 0.70 | NR1H2 (0.37) | KDM4EPKMHDAC1HDAC6CYP3A4 | |
| SCHEMBL14282651 | 0.70 | GRIN2B (0.48) | KDM4ECYP3A4SMN1; SMN2OPRL1OPRM1 | |
| SCHEMBL12897540 | 0.70 | GRIN2B (0.37) | KDM4ECYP3A4SMN1; SMN2ALDH1A1NR1H2 | |
| SCHEMBL26113493 | 0.69 | HDAC1 (0.65) | KDM4EPKMHDAC1HDAC6MEN1 | |
| SCHEMBL30597150 | 0.69 | HDAC1 (0.65) | KDM4EPKMHDAC1HDAC6MEN1 | |
| SCHEMBL5134369 | 0.69 | GRIN2B (0.47) | CYP3A4OPRL1OPRM1OPRK1NPC1L1 |
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 |
|---|---|---|---|---|---|---|---|
| US-4483988-A | Substituted derivatives of 4-t-alkoxycarbonyl-piperazin-2-ones | RICHARDSON MERRELL INC. (US) | 1984-11-20 | — | — | US | disclosed |
| US-4435571-A | 5-(Substituted benzyl)-6-oxo-2-piperazine carboxylic acids and esters | RICHARDSON MERRELL INC. (US) | 1984-03-06 | — | — | US | disclosed |
| US-4341698-A | Enkaphalin derivatives | RICHARDSON-MERRELL INC. (US) | 1982-07-27 | — | — | US | disclosed |