Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ERN1 | O75460 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 8/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 4/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.39 |
| ▸ | GAA | P10253 | 2/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.39 |
| ▸ | RXFP1 | Q9HBX9 | 2/20 | 0.37 |
| ▸ | CCNE2 | O96020 | 1/20 | 0.37 |
| ▸ | CCNE1 | P24864 | 1/20 | 0.37 |
| ▸ | CDK2 | P24941 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 3/20 | 0.36 |
| ▸ | ACHE | P22303 | 2/20 | 0.35 |
| ▸ | POLB | P06746 | 2/20 | 0.35 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.35 |
| ▸ | MEN1 | O00255 | 2/20 | 0.34 |
| ▸ | 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 | |
|---|---|---|---|---|
| SCHEMBL7135870 | 0.70 | MAPT (0.52) | KDM4EALDH1A1L3MBTL1TDP1MAPT | |
| SCHEMBL10921471 | 0.69 | ALDH1A1 (0.49) | ERN1SMN1; SMN2ALDH1A1GAAACHE | |
| SCHEMBL7465724 | 0.68 | KIF11 (0.41) | KDM4EALDH1A1L3MBTL1TDP1GAA | |
| SCHEMBL7704656 | 0.68 | ERN1 (0.39) | ERN1SMN1; SMN2KDM4EALDH1A1L3MBTL1 | |
| SCHEMBL2752571 | 0.68 | PDK2 (0.34) | ALDH1A1HPGD | |
| SCHEMBL732915 | 0.68 | RPS6KB2 (0.49) | ERN1SMN1; SMN2KDM4EALDH1A1GAA | |
| SCHEMBL7702104 | 0.68 | CYP2A6 (0.38) | CCNE2CCNE1CDK2KCNH2 | |
| SCHEMBL7704882 | 0.67 | KDM4E (0.37) | KDM4EALDH1A1GAAMAPTACHE | |
| SCHEMBL6744117 | 0.66 | MAPT (0.44) | KDM4EALDH1A1L3MBTL1TDP1MAPT | |
| SCHEMBL5541483 | 0.66 | L3MBTL1 (0.40) | SMN1; SMN2KDM4EALDH1A1L3MBTL1TDP1 |
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 2 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 |