Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPK1 | P28482 | 2/20 | 0.44 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.38 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.38 |
| ▸ | RELA | Q04206 | 1/20 | 0.38 |
| ▸ | GPR119 | Q8TDV5 | 3/20 | 0.38 |
| ▸ | BUB1 | O43683 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | PKM | P14618 | 1/20 | 0.37 |
| ▸ | KDM1A | O60341 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | RAB9A | P51151 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | MDM2 | Q00987 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.35 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.35 |
| ▸ | HPGD | P15428 | 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 | |
|---|---|---|---|---|
| SCHEMBL29997473 | 0.79 | ALDH1A1 (0.39) | MAPK1NFKB1NFKB2RELAGPR119 | |
| SCHEMBL4129240 | 0.74 | MAPK1 (0.43) | MAPK1GPR119BUB1KDM4EKDM1A | |
| SCHEMBL11078866 | 0.73 | HDAC1 (0.44) | MAPK1NFKB1NFKB2RELAGPR119 | |
| SCHEMBL4511304 | 0.72 | MAPK1 (0.46) | MAPK1GPR119GAAKDM4EKDM1A | |
| SCHEMBL29505992 | 0.71 | MAPK1 (0.60) | MAPK1GPR119BUB1KDM1AALDH1A1 | |
| SCHEMBL975814 | 0.71 | MAPK1 (0.60) | MAPK1GPR119BUB1KDM1AALDH1A1 | |
| SCHEMBL1345971 | 0.71 | MAPK1 (0.42) | MAPK1 | |
| SCHEMBL1473227 | 0.69 | GPR119 (0.51) | MAPK1GPR119KDM4EPKM | |
| SCHEMBL5447566 | 0.68 | MEN1 (0.38) | ALDH1A1RAB9AMEN1MAPTKMT2A | |
| SCHEMBL14358003 | 0.68 | MEN1 (0.38) | ALDH1A1RAB9AMEN1MAPTKMT2A |
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 |