Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.54 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.54 |
| ▸ | MAPT | P10636 | 2/20 | 0.51 |
| ▸ | HPGD | P15428 | 1/20 | 0.51 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.51 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.51 |
| ▸ | HTT | P42858 | 1/20 | 0.51 |
| ▸ | KLK7 | P49862 | 2/20 | 0.50 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.49 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.49 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.47 |
| ▸ | RAB9A | P51151 | 2/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.47 |
| ▸ | NPC1 | O15118 | 1/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.47 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.47 |
| ▸ | HDAC4 | P56524 | 3/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL3364875 | 0.90 | KDM4E (0.56) | KDM4EALDH1A1CYP1A2MAPTHPGD | |
| SCHEMBL17183962 | 0.85 | ALDH1A1 (0.60) | KDM4EALDH1A1CYP1A2MAPTHPGD | |
| SCHEMBL8654103 | 0.84 | ALDH1A1 (0.58) | KDM4EALDH1A1CYP1A2MAPTHPGD | |
| SCHEMBL9125307 | 0.84 | ALDH1A1 (0.65) | KDM4EALDH1A1CYP1A2MAPTHPGD | |
| SCHEMBL6706649 | 0.81 | KDM4E (0.49) | KDM4EALDH1A1CYP1A2MAPTHPGD | |
| SCHEMBL9125155 | 0.81 | ALDH1A1 (0.55) | KDM4EALDH1A1CYP1A2MAPTHPGD | |
| SCHEMBL25701 | 0.81 | ALDH1A1 (0.63) | KDM4EALDH1A1CYP1A2MAPTHPGD | |
| SCHEMBL27967069 | 0.81 | ALDH1A1 (0.55) | KDM4EALDH1A1CYP1A2MAPTHPGD | |
| SCHEMBL19540781 | 0.81 | ALDH1A1 (0.55) | KDM4EALDH1A1CYP1A2MAPTHPGD | |
| SCHEMBL4696809 | 0.80 | NAMPT (0.65) | KDM4EALDH1A1CYP1A2MAPTHPGD |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5854263-A | 1- (1,4-benzodioxanyl)alkyl!-3-(heteroaryl) pyrrolidines and related compounds and their therapeutic utility | HOECHST MARION ROUSSEL, INC. (US) | 1998-12-29 | — | — | US | disclosed |