Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GBA1 | P04062 | 1/20 | 0.50 |
| ▸ | CCR3 | P51677 | 1/20 | 0.49 |
| ▸ | CCR5 | P51681 | 1/20 | 0.49 |
| ▸ | GRIN2B | Q13224 | 2/20 | 0.48 |
| ▸ | GMNN | O75496 | 1/20 | 0.48 |
| ▸ | TP53 | P04637 | 1/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.48 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.48 |
| ▸ | TSHR | P16473 | 1/20 | 0.48 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.48 |
| ▸ | THPO | P40225 | 1/20 | 0.48 |
| ▸ | MTOR | P42345 | 1/20 | 0.48 |
| ▸ | BLM | P54132 | 1/20 | 0.48 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.48 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.48 |
| ▸ | SIGMAR1 | Q99720 | 3/20 | 0.48 |
| ▸ | DRD2 | P14416 | 2/20 | 0.48 |
| ▸ | HTR2A | P28223 | 2/20 | 0.48 |
| ▸ | HTR2C | P28335 | 2/20 | 0.48 |
| ▸ | HTR2B | P41595 | 2/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL7824246 | 0.92 | GRIN2B (0.46) | GBA1CCR3CCR5GRIN2BGMNN | |
| SCHEMBL895063 | 0.86 | GBA1 (0.66) | GBA1 | |
| SCHEMBL5357641 | 0.85 | GBA1 (0.72) | GBA1CCR3GRIN2BSIGMAR1 | |
| Hydrochloric Acid SCHEMBL4247331 | 0.84 | GBA1 (0.63) | GBA1 | |
| Bromide SCHEMBL7246786 | 0.84 | GBA1 (0.63) | GBA1 | |
| SCHEMBL20015340 | 0.80 | GBA1 (0.58) | GBA1 | |
| SCHEMBL13330901 | 0.80 | GBA1 (0.58) | GBA1 | |
| SCHEMBL4969534 | 0.79 | PRMT5 (0.52) | GBA1CCR3CYP3A4NFKB1SIGMAR1 | |
| SCHEMBL27535617 | 0.78 | GBA1 (0.56) | GBA1 | |
| Hydrochloric Acid SCHEMBL7512621 | 0.77 | GBA1 (0.54) | GBA1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1620400-B1 | piperidinylmethylpiperidine derivatives and their use as chemokine modulators | ASTRAZENECA AB (SE) | 2012-12-05 | — | — | EP | disclosed |
| CN-100460391-C | Chemical compounds. | ASTRAZENECA AB (SE) | 2009-02-11 | — | — | CN | disclosed |
| EP-1625114-B1 | Piperidine derivatives for the the treatment of chemokine or H1 mediated diseases | ASTRAZENECA AB (SE) | 2008-08-27 | — | — | EP | disclosed |
| CN-1768037-A | Chemical compounds. | ASTRAZENECA AB (SE) | 2006-05-03 | — | — | CN | disclosed |