Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOA | P21397 | 1/20 | 0.41 |
| ▸ | MAOB | P27338 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | LMNA | P02545 | 2/20 | 0.38 |
| ▸ | LTA4H | P09960 | 6/20 | 0.35 |
| ▸ | MEN1 | O00255 | 4/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.33 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.33 |
| ▸ | HAO1 | Q9UJM8 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL12153390 | 0.81 | ALDH1A1 (0.48) | MAOAMAOBALDH1A1LTA4HMEN1 | |
| SCHEMBL18726479 | 0.81 | ESR2 (0.48) | LTA4HMEN1KMT2A | |
| SCHEMBL21540141 | 0.81 | LTA4H (0.46) | MAOAMAOBLTA4H | |
| SCHEMBL13019820 | 0.81 | TEAD4 (0.41) | ALDH1A1LMNAMEN1KMT2ASMN1; SMN2 | |
| SCHEMBL10273562 | 0.80 | LTA4H (0.44) | MAOAMAOBLTA4HKMT2AKDM4E | |
| SCHEMBL14081102 | 0.77 | — | — | |
| SCHEMBL19346893 | 0.77 | RAB9A (0.46) | MAOBALDH1A1MEN1KMT2ASMN1; SMN2 | |
| SCHEMBL7540308 | 0.76 | — | — | |
| SCHEMBL19075410 | 0.74 | MCHR1 (0.34) | LTA4HMEN1KMT2ASMN1; SMN2NPSR1 | |
| SCHEMBL25039155 | 0.74 | ALDH1A1 (0.38) | ALDH1A1LMNAMEN1KMT2ASMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2004002483-A1 | SUBSTITUTED 3- AND 4- AMINOMETHYLPIPERIDINES FOR USE AS BETA-SECRETASE IN THE TREATMENT OF ALZHEIMER’S DISEASE | ACTELION PHARMACEUTICALS LTD (CH) | 2004-01-08 | — | — | WO | disclosed |