Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BDKRB1 | P46663 | 9/20 | 0.34 |
| ▸ | EP300 | Q09472 | 1/20 | 0.32 |
| ▸ | KDM4C | Q9H3R0 | 2/20 | 0.32 |
| ▸ | TACR1 | P25103 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | RORC | P51449 | 1/20 | 0.32 |
| ▸ | SCN5A | Q14524 | 1/20 | 0.31 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.31 |
| ▸ | GPBAR1 | Q8TDU6 | 1/20 | 0.31 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.31 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.30 |
| ▸ | KDM6B | O15054 | 1/20 | 0.30 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| Acetic Acid SCHEMBL2639824 | 0.90 | BDKRB1 (0.35) | BDKRB1EP300KDM4CTACR1KDM4E | |
| SCHEMBL265177 | 0.89 | BDKRB1 (0.35) | BDKRB1EP300KDM4CKDM4EALDH1A1 | |
| SCHEMBL265178 | 0.89 | BDKRB1 (0.35) | BDKRB1EP300KDM4CKDM4EALDH1A1 | |
| SCHEMBL266409 | 0.89 | BDKRB1 (0.35) | BDKRB1EP300KDM4CKDM4EALDH1A1 | |
| SCHEMBL265823 | 0.89 | TRPV1 (0.38) | EP300TACR1ALDH1A1TSHRSCN5A | |
| SCHEMBL1423930 | 0.88 | BDKRB1 (0.32) | BDKRB1 | |
| SCHEMBL272169 | 0.82 | BDKRB1 (0.33) | BDKRB1KDM4CRORCSCN9AKDM6B | |
| SCHEMBL271631 | 0.82 | BDKRB1 (0.33) | BDKRB1KDM4CRORCSCN9AKDM6B | |
| SCHEMBL265039 | 0.80 | GPBAR1 (0.35) | EP300TACR1KDM4EALDH1A1GPBAR1 | |
| SCHEMBL266999 | 0.77 | TRPV1 (0.41) | EP300ALDH1A1TSHRSCN5ASCN9A |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| JP-2011524398-A | — | — | 2011-09-01 | — | — | JP | claimed |
| WO-2009153180-A1 | HETEROAROMATIC MONOAMIDES AS OREXININ RECEPTOR ANTAGONISTS | F. HOFFMANN-LA ROCHE AG (CH) | 2009-12-23 | — | — | WO | claimed |
| WO-2009153180-A1 | HETEROAROMATIC MONOAMIDES AS OREXININ RECEPTOR ANTAGONISTS | F. HOFFMANN-LA ROCHE AG (CH) | 2009-12-23 | — | — | WO | disclosed |