Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.47 |
| ▸ | HPGD | P15428 | 3/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.46 |
| ▸ | PTGER1 | P34995 | 2/20 | 0.43 |
| ▸ | RAB9A | P51151 | 4/20 | 0.42 |
| ▸ | NPC1 | O15118 | 3/20 | 0.42 |
| ▸ | MCL1 | Q07820 | 3/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.40 |
| ▸ | CASP1 | P29466 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | EDNRA | P25101 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL5026875 | 0.95 | KDM4E (0.51) | KDM4EALDH1A1HPGDHSD17B10SMN1; SMN2 | |
| SCHEMBL5025590 | 0.85 | KDM4E (0.62) | KDM4EALDH1A1HPGDHSD17B10SMN1; SMN2 | |
| SCHEMBL5023109 | 0.83 | KDM4E (0.55) | KDM4EALDH1A1HPGDHSD17B10SMN1; SMN2 | |
| SCHEMBL14277067 | 0.80 | KDM4E (0.52) | KDM4EALDH1A1HPGDHSD17B10SMN1; SMN2 | |
| SCHEMBL6957797 | 0.74 | PTGER1 (0.58) | KDM4EPTGER1NPC1CYP2C9KMT2A | |
| SCHEMBL5023683 | 0.73 | MAPT (0.50) | KDM4EALDH1A1HPGDSMN1; SMN2RAB9A | |
| SCHEMBL16795004 | 0.73 | NPC1 (0.71) | KDM4EALDH1A1HPGDHSD17B10SMN1; SMN2 | |
| SCHEMBL7214882 | 0.73 | MAOB (0.47) | RAB9ANPC1 | |
| SCHEMBL15107055 | 0.71 | KDM4E (0.58) | KDM4EALDH1A1HPGDHSD17B10SMN1; SMN2 | |
| SCHEMBL5016722 | 0.71 | KDM4E (0.60) | KDM4EALDH1A1HPGDHSD17B10SMN1; SMN2 |
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-1697336-A2 | AROYLFURANES AND AROYLTHIOPHENES SUITABLE FOR THE TREATMENT OF CANCER | Basilea Pharmaceutica AG (CH) | 2006-09-06 | — | — | EP | disclosed |
| WO-2005061476-A2 | AROYLFURANES AND AROYLTHIOPHENES | BASILEA PHARMACEUTICA AG (CH) | 2005-07-07 | — | — | WO | disclosed |