Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | ACHE | P22303 | 1/20 | 0.36 |
| ▸ | ENPP1 | P22413 | 1/20 | 0.35 |
| ▸ | KIF11 | P52732 | 3/20 | 0.33 |
| ▸ | ESR1 | P03372 | 1/20 | 0.33 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.33 |
| ▸ | GYS1 | P13807 | 1/20 | 0.32 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.32 |
| ▸ | SCN5A | Q14524 | 1/20 | 0.32 |
| ▸ | MAPK14 | Q16539 | 2/20 | 0.31 |
| ▸ | SRC | P12931 | 1/20 | 0.31 |
| ▸ | BRAF | P15056 | 1/20 | 0.31 |
| ▸ | KDR | P35968 | 1/20 | 0.31 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.31 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL7702032 | 0.82 | AR (0.46) | KDM4EALDH1A1GAAMAPTACHE | |
| SCHEMBL7701995 | 0.82 | CYP11B1 (0.37) | KDM4EALDH1A1MAPTKIF11 | |
| SCHEMBL7465724 | 0.81 | KIF11 (0.41) | KDM4EALDH1A1GAAMAPTHTT | |
| SCHEMBL8463154 | 0.79 | AR (0.42) | KDM4EALDH1A1GAAMAPTHTT | |
| SCHEMBL7705200 | 0.77 | PGR (0.50) | KDM4EMAPTKMT2AACHEENPP1 | |
| SCHEMBL2433534 | 0.75 | PDE3B (0.36) | KDM4EALDH1A1GAAMAPTHTT | |
| SCHEMBL7699908 | 0.73 | AHR (0.45) | HTTKMT2AGYS1AR | |
| SCHEMBL4453498 | 0.73 | TYMP (0.38) | MAPTPTGS2MAPK14TYMP | |
| SCHEMBL7702104 | 0.72 | CYP2A6 (0.38) | ENPP1PTGS2IDO1 | |
| SCHEMBL8667082 | 0.72 | MPL (0.42) | KIF11AR |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1242399-A1 | $g(a)-ARYLETHYLPIPERAZINE DERIVATIVES AS NEUROKININ ANTAGONISTS | UCB S.A. (BE) | 2002-09-25 | — | — | EP | disclosed |
| WO-2001046167-A1 | α-ARYLETHYLPIPERAZINE DERIVATIVES AS NEUROKININ ANTAGONISTS | UCB, S.A. (BE) | 2001-06-28 | — | — | WO | disclosed |
| EP-0948496-A2 | SUBSTITUTED PYRIMIDINONE AND PYRIDONE COMPOUNDS AND METHODS OF USE | Amgen inc. (US) | 1999-10-13 | — | — | EP | disclosed |
| WO-1998024780-A2 | SUBSTITUTED PYRIMIDINONE AND PYRIDINONE COMPOUNDS AND THEIR USE | AMGEN INC. (US) | 1998-06-11 | — | — | WO | disclosed |