Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.63 |
| ▸ | MAPT | P10636 | 2/20 | 0.62 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.62 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.60 |
| ▸ | TSHR | P16473 | 3/20 | 0.58 |
| ▸ | HTT | P42858 | 1/20 | 0.58 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.58 |
| ▸ | LMNA | P02545 | 2/20 | 0.53 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | NAMPT | P43490 | 1/20 | 0.41 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | FAAH | O00519 | 1/20 | 0.41 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL5323146 | 0.89 | ALDH1A1 (0.49) | ALDH1A1MAPTKDM4EKMT2ATSHR | |
| SCHEMBL5330616 | 0.85 | ALDH1A1 (0.44) | ALDH1A1MAPTKDM4EKMT2ATSHR | |
| SCHEMBL5359415 | 0.81 | HPGD (0.56) | ALDH1A1MAPTKDM4ETSHRNAMPT | |
| SCHEMBL5332752 | 0.79 | TP53 (0.48) | ALDH1A1KDM4ECYP1A2GAACYP2C9 | |
| SCHEMBL3210271 | 0.78 | L3MBTL1 (0.44) | CYP1A2GAACYP2C9CYP2C19NAMPT | |
| SCHEMBL3210281 | 0.78 | CHRM4 (0.59) | TSHRNAMPTADRB2CYP3A4FAAH | |
| SCHEMBL31034511 | 0.77 | ALDH1A1 (1.00) | ALDH1A1MAPTKDM4EKMT2ATSHR | |
| SCHEMBL5321672 | 0.77 | MAPK1 (0.47) | SMN1; SMN2CYP1A2GAACYP2C9CYP2C19 | |
| SCHEMBL5322483 | 0.77 | NAMPT (0.43) | KMT2ACYP1A2GAACYP2C9CYP2C19 | |
| SCHEMBL5322490 | 0.74 | GPR142 (0.46) | ALDH1A1KDM4EHTTLMNANAMPT |
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-2007135427-A1 | 1,4-DISUBSTITUTED PIPERAZINE AND 1,4-DISUBSTITUTED AZEPANE AS 11 -BETA-HYDROXYSTEROID DEHYDROGENASE 1 INHIBITORS | ASTRAZENECA AB (SE) | 2007-11-29 | — | — | WO | disclosed |