Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.55 |
| ▸ | HSD17B10 | Q99714 | 5/20 | 0.55 |
| ▸ | NPSR1 | Q6W5P4 | 5/20 | 0.55 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.55 |
| ▸ | TSHR | P16473 | 3/20 | 0.55 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.55 |
| ▸ | CASP1 | P29466 | 2/20 | 0.55 |
| ▸ | CASP7 | P55210 | 2/20 | 0.55 |
| ▸ | HPGD | P15428 | 5/20 | 0.50 |
| ▸ | MAPT | P10636 | 2/20 | 0.50 |
| ▸ | PDE9A | O76083 | 1/20 | 0.49 |
| ▸ | MEN1 | O00255 | 1/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.47 |
| ▸ | PARP1 | P09874 | 1/20 | 0.46 |
| ▸ | USP2 | O75604 | 1/20 | 0.45 |
| ▸ | TP53 | P04637 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL29394356 | 1.00 | ALDH1A1 (0.55) | ALDH1A1HSD17B10NPSR1KDM4ETSHR | |
| SCHEMBL16795045 | 0.87 | ALDH1A1 (0.46) | ALDH1A1HSD17B10NPSR1KDM4ETSHR | |
| SCHEMBL28274604 | 0.78 | HTR2A (0.51) | ALDH1A1HPGDESR1ESR2HTR6 | |
| SCHEMBL17510042 | 0.77 | PARP1 (0.48) | ALDH1A1HSD17B10KDM4ETSHRSMN1; SMN2 | |
| SCHEMBL10572503 | 0.77 | KDM4E (0.57) | ALDH1A1HSD17B10KDM4ETSHRHPGD | |
| SCHEMBL16814410 | 0.76 | ALDH1A1 (0.62) | ALDH1A1HSD17B10NPSR1KDM4ETSHR | |
| SCHEMBL10077099 | 0.74 | HTR6 (0.49) | ALDH1A1HSD17B10TSHRHPGDMAPT | |
| SCHEMBL14349887 | 0.74 | PDE9A (0.52) | PDE9APARP1 | |
| SCHEMBL28132803 | 0.73 | MAPT (0.71) | ALDH1A1HSD17B10KDM4ESMN1; SMN2HPGD | |
| SCHEMBL16814411 | 0.73 | CYP1A2 (0.47) | HSD17B10TSHRCYP1A2CYP2D6CYP2C9 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1368008-B1 | TRANSDERMAL THERAPEUTIC SYSTEM FOR THE ADMINISTRATION OF THE PARTIAL DOPAMINE-D2 AGONIST ARIPIPRAZOL | LOHMANN THERAPIE SYST LTS (DE) | 2006-09-27 | — | — | EP | disclosed |