Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.47 |
| ▸ | CTNNB1 | P35222 | 1/20 | 0.45 |
| ▸ | WNT3A | P56704 | 1/20 | 0.45 |
| ▸ | MYC | P01106 | 1/20 | 0.45 |
| ▸ | GRM5 | P41594 | 1/20 | 0.43 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.43 |
| ▸ | BRD4 | O60885 | 1/20 | 0.42 |
| ▸ | BRD2 | P25440 | 1/20 | 0.42 |
| ▸ | BRD3 | Q15059 | 1/20 | 0.42 |
| ▸ | BAZ2B | Q9UIF8 | 1/20 | 0.42 |
| ▸ | BAZ2A | Q9UIF9 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.42 |
| ▸ | LMNA | P02545 | 2/20 | 0.42 |
| ▸ | CCR1 | P32246 | 2/20 | 0.42 |
| ▸ | CCR5 | P51681 | 2/20 | 0.42 |
| ▸ | CCR8 | P51685 | 2/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | METAP1 | P53582 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL6876765 | 0.87 | MYC (0.57) | ALDH1A1CTNNB1WNT3AMYCKDM4C | |
| SCHEMBL4726132 | 0.80 | KDM4E (0.59) | ALDH1A1GRM5MAPK1KDM4ELMNA | |
| SCHEMBL30824691 | 0.80 | KDM4E (0.59) | ALDH1A1GRM5MAPK1KDM4ELMNA | |
| SCHEMBL9200058 | 0.77 | KDM4C (0.62) | ALDH1A1GRM5KDM4CBRD4BRD2 | |
| SCHEMBL20903172 | 0.76 | CBFB (0.38) | CTNNB1WNT3AMYCGRM5MAPK1 | |
| SCHEMBL21562543 | 0.76 | NPC1 (0.41) | CTNNB1WNT3AMYCGRM5MAPK1 | |
| SCHEMBL18202141 | 0.76 | PTPN1 (0.48) | ALDH1A1MAPK1KDM4ELMNAPOLB | |
| SCHEMBL14670506 | 0.76 | KDM4E (0.48) | ALDH1A1GRM5KDM4CBRD4BRD2 | |
| SCHEMBL2943452 | 0.75 | GRM5 (0.54) | ALDH1A1GRM5KDM4CMAPK1KDM4E | |
| SCHEMBL21562542 | 0.75 | GRM5 (0.39) | CTNNB1WNT3AGRM5MAPK1KDM4E |
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-2014159591-A1 | SUBSTITUTED 7-AZABICYCLES AND THEIR USE AS OREXIN RECEPTOR MODULATORS | JANSSEN PHARMACEUTICA NV (BE) | 2014-10-02 | — | — | WO | disclosed |